 Entering Gaussian System, Link 0=g16
 Input=15_2carene_STD_B3LYPDBJ-augccpVDZr.in
 Output=15_2carene_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/15_2carene_STD/Gau-4547.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/15_2carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      4548.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=15_2carene_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:09:40 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "15_2carene_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.539270000000     -0.435125000000     -0.935630000000
  C                                                 0.816364000000      0.968322000000     -0.450280000000
  C                                                -0.765594000000     -1.028594000000     -0.572480000000
  C                                                -1.800993000000     -0.297742000000     -0.156432000000
  C                                                -3.135413000000     -0.895562000000      0.168823000000
  C                                                -1.676641000000      1.202692000000     -0.021029000000
  C                                                -0.263208000000      1.653051000000      0.372514000000
  C                                                 1.636339000000     -0.186823000000      0.085468000000
  H                                                 0.893695000000     -0.691598000000     -1.929272000000
  H                                                 1.339746000000      1.614886000000     -1.144387000000
  H                                                -0.874831000000     -2.104823000000     -0.671160000000
  H                                                -3.148517000000     -1.971949000000     -0.004947000000
  H                                                -3.924099000000     -0.440411000000     -0.439321000000
  H                                                -3.404545000000     -0.711394000000      1.213967000000
  H                                                -2.397776000000      1.565713000000      0.716548000000
  H                                                -1.964396000000      1.665977000000     -0.972847000000
  H                                                -0.118055000000      1.450646000000      1.435502000000
  H                                                -0.177183000000      2.735203000000      0.256669000000
  C                                                 1.458496000000     -0.656559000000      1.508984000000
  C                                                 3.060086000000     -0.290467000000     -0.413000000000
  H                                                 0.412233000000     -0.690309000000      1.806635000000
  H                                                 1.991804000000     -0.002624000000      2.204759000000
  H                                                 1.865028000000     -1.664540000000      1.625325000000
  H                                                 3.146950000000      0.056753000000     -1.444121000000
  H                                                 3.414003000000     -1.324549000000     -0.376315000000
  H                                                 3.733703000000      0.313863000000      0.201341000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.510632   0.000000
     3  C    1.478768   2.550529   0.000000
     4  C    2.470396   2.922297   1.333901   0.000000
     5  C    3.864597   4.412923   2.486618   1.497951   0.000000
     6  C    2.903309   2.540523   2.472396   1.511655   2.562563
     7  C    2.591465   1.520302   2.887321   2.539717   3.845319
     8  C    1.519163   1.514511   2.628832   3.447618   4.824819
     9  H    1.085689   2.224575   2.169721   3.249527   4.547232
    10  H    2.210630   1.083401   3.427466   3.807682   5.296595
    11  H    2.203978   3.514705   1.086250   2.094818   2.697798
    12  H    4.102167   4.956188   2.624945   2.154469   1.090402
    13  H    4.490881   4.945365   3.215563   2.146616   1.095001
    14  H    4.500085   4.838103   3.202510   2.149530   1.094841
    15  H    3.919092   3.471176   3.325062   2.142594   2.627163
    16  H    3.268694   2.914177   2.976262   2.132938   3.039107
    17  H    3.100077   2.159155   3.255446   2.902309   4.026614
    18  H    3.462060   2.146807   3.898703   3.464992   4.684154
    19  C    2.621097   2.625126   3.068791   3.677857   4.791362
    20  C    2.578484   2.572980   3.899499   4.867851   6.252109
    21  H    2.757041   2.829849   2.676173   2.984311   3.912844
    22  H    3.486969   3.061638   4.045852   4.477458   5.588446
    23  H    3.134898   3.512804   3.486394   4.299128   5.264707
    24  H    2.701944   2.692640   4.152799   5.125032   6.555652
    25  H    3.060719   3.465611   4.194651   5.319668   6.586050
    26  H    3.472476   3.060032   4.758641   5.579868   6.974849
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.534761   0.000000
     8  C    3.594152   2.660040   0.000000
     9  H    3.719725   3.483392   2.205787   0.000000
    10  H    3.245062   2.207240   2.201514   2.476868   0.000000
    11  H    3.464856   3.947779   3.249182   2.589930   4.354828
    12  H    3.499289   4.648452   5.107807   4.656372   5.857321
    13  H    2.815284   4.294622   5.590902   5.049177   5.694684
    14  H    2.859124   4.020776   5.192225   5.324961   5.786338
    15  H    1.093545   2.163878   4.443392   4.788486   4.175472
    16  H    1.096993   2.168918   4.185474   3.826433   3.308986
    17  H    2.147593   1.091779   2.753506   4.115161   2.967825
    18  H    2.161962   1.091730   3.443313   4.203342   2.349285
    19  C    3.953080   3.096793   1.509529   3.484513   3.494845
    20  C    4.981942   3.929196   1.512041   2.674554   2.669245
    21  H    3.359643   2.829180   2.171255   3.766803   3.857815
    22  H    4.456950   3.344168   2.156775   4.332521   3.776016
    23  H    4.845092   4.135860   2.146417   3.811202   4.324565
    24  H    5.158042   4.180611   2.163543   2.423336   2.404913
    25  H    5.694544   4.790483   2.160498   3.027252   3.678689
    26  H    5.487375   4.218770   2.159409   3.690001   3.038861
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.373003   0.000000
    13  H    3.481674   1.770824   0.000000
    14  H    3.448884   1.772089   1.754061   0.000000
    15  H    4.209267   3.687712   2.773126   2.538942   0.000000
    16  H    3.936636   3.946325   2.926082   3.536676   1.746976
    17  H    4.201440   4.792990   4.645108   3.940116   2.393170
    18  H    4.977292   5.572661   4.960676   4.817812   2.551515
    19  C    3.506410   5.024620   5.728433   4.872290   4.520761
    20  C    4.340749   6.445203   6.985844   6.679495   5.874482
    21  H    3.129992   4.195637   4.889841   3.862576   3.764847
    22  H    4.572499   5.931605   6.494669   5.532143   4.893145
    23  H    3.602016   5.280901   6.266997   5.370857   5.425118
    24  H    4.630832   6.769029   7.159367   7.111791   6.139172
    25  H    4.369194   6.604825   7.391442   7.028339   6.582153
    26  H    5.277299   7.254822   7.721484   7.282249   6.279140
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.042283   0.000000
    18  H    2.418488   1.744486   0.000000
    19  C    4.823883   2.632722   3.968348   0.000000
    20  C    5.420934   4.068048   4.481411   2.528465   0.000000
    21  H    4.350399   2.236657   3.805777   1.088302   3.478186
    22  H    5.341622   2.674931   3.999407   1.093687   2.841961
    23  H    5.701520   3.697707   5.039998   1.093082   2.733315
    24  H    5.379364   4.571151   4.595285   3.475704   1.091475
    25  H    6.182740   4.843534   5.457002   2.797243   1.093585
    26  H    5.972877   4.201365   4.600106   2.797895   1.093796
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768179   0.000000
    23  H    1.758583   1.764591   0.000000
    24  H    4.313258   3.827821   3.745353   0.000000
    25  H    3.765389   3.229873   2.553719   1.766217   0.000000
    26  H    3.823283   2.673586   3.071442   1.765766   1.766434
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.5463935           0.9251117           0.8426951
 Leave Link  202 at Thu Jul  8 18:09:41 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      21     22     23     24     25     26
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 408 were deleted.
 There are   394 symmetry adapted cartesian basis functions of A   symmetry.
 There are   374 symmetry adapted basis functions of A   symmetry.
   374 basis functions,   662 primitive gaussians,   394 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       548.8339666672 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0453366970 Hartrees.
 Nuclear repulsion after empirical dispersion term =      548.7886299702 Hartrees.
 Leave Link  301 at Thu Jul  8 18:09:44 2021, MaxMem= 10737418240 cpu:              34.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   374 RedAO= T EigKep=  4.37D-06  NBF=   374
 NBsUse=   374 1.00D-06 EigRej= -1.00D+00 NBFU=   374
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   394   394   394   394   394 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:              10.1 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:09:45 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "15_2carene_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:09:46 2021, MaxMem= 10737418240 cpu:              10.0 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737097578 LenY= 10736941901
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.745324823997    
 DIIS: error= 1.68D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.745324823997     IErMin= 1 ErrMin= 1.68D-03
 ErrMax= 1.68D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.40D-03 BMatP= 4.40D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.68D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.237 Goal=   None    Shift=    0.000
 GapD=    0.237 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.77D-02 MaxDP=2.27D+00              OVMax= 8.08D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.27D-02    CP:  1.54D+00
 E= -390.748878768106     Delta-E=       -0.003553944109 Rises=F Damp=F
 DIIS: error= 1.39D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.748878768106     IErMin= 2 ErrMin= 1.39D-04
 ErrMax= 1.39D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.31D-05 BMatP= 4.40D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.39D-03
 Coeff-Com:  0.649D-02 0.994D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.648D-02 0.994D+00
 Gap=     0.211 Goal=   None    Shift=    0.000
 RMSDP=8.86D-04 MaxDP=1.02D-01 DE=-3.55D-03 OVMax= 2.29D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.10D-04    CP:  1.55D+00  1.03D+00
 E= -390.748873233577     Delta-E=        0.000005534529 Rises=F Damp=F
 DIIS: error= 1.85D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -390.748878768106     IErMin= 2 ErrMin= 1.39D-04
 ErrMax= 1.85D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.79D-05 BMatP= 3.31D-05
 IDIUse=3 WtCom= 4.24D-01 WtEn= 5.76D-01
 Coeff-Com: -0.645D-02 0.519D+00 0.488D+00
 Coeff-En:   0.000D+00 0.537D+00 0.463D+00
 Coeff:     -0.273D-02 0.529D+00 0.473D+00
 Gap=     0.213 Goal=   None    Shift=    0.000
 RMSDP=1.12D-04 MaxDP=5.22D-03 DE= 5.53D-06 OVMax= 1.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.65D-05    CP:  1.55D+00  1.03D+00  9.07D-01
 E= -390.748913753484     Delta-E=       -0.000040519907 Rises=F Damp=F
 DIIS: error= 2.83D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.748913753484     IErMin= 4 ErrMin= 2.83D-05
 ErrMax= 2.83D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.19D-07 BMatP= 3.31D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.259D-02 0.121D+00 0.172D+00 0.710D+00
 Coeff:     -0.259D-02 0.121D+00 0.172D+00 0.710D+00
 Gap=     0.212 Goal=   None    Shift=    0.000
 RMSDP=2.73D-05 MaxDP=2.36D-03 DE=-4.05D-05 OVMax= 4.00D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.37D-05    CP:  1.55D+00  1.03D+00  9.20D-01  9.26D-01
 E= -390.748914266556     Delta-E=       -0.000000513072 Rises=F Damp=F
 DIIS: error= 1.43D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.748914266556     IErMin= 5 ErrMin= 1.43D-05
 ErrMax= 1.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.68D-07 BMatP= 7.19D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.982D-03 0.222D-01 0.602D-01 0.431D+00 0.488D+00
 Coeff:     -0.982D-03 0.222D-01 0.602D-01 0.431D+00 0.488D+00
 Gap=     0.212 Goal=   None    Shift=    0.000
 RMSDP=7.04D-06 MaxDP=3.86D-04 DE=-5.13D-07 OVMax= 2.35D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  6.33D-06    CP:  1.55D+00  1.03D+00  9.22D-01  9.46D-01  8.81D-01
 E= -390.748914526630     Delta-E=       -0.000000260074 Rises=F Damp=F
 DIIS: error= 3.49D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.748914526630     IErMin= 6 ErrMin= 3.49D-06
 ErrMax= 3.49D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-08 BMatP= 2.68D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-03 0.443D-02 0.230D-01 0.198D+00 0.271D+00 0.504D+00
 Coeff:     -0.396D-03 0.443D-02 0.230D-01 0.198D+00 0.271D+00 0.504D+00
 Gap=     0.212 Goal=   None    Shift=    0.000
 RMSDP=1.94D-06 MaxDP=1.65D-04 DE=-2.60D-07 OVMax= 6.95D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.76D-06    CP:  1.55D+00  1.03D+00  9.23D-01  9.48D-01  8.90D-01
                    CP:  9.14D-01
 E= -390.748914541246     Delta-E=       -0.000000014616 Rises=F Damp=F
 DIIS: error= 9.57D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.748914541246     IErMin= 7 ErrMin= 9.57D-07
 ErrMax= 9.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-09 BMatP= 1.60D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.750D-04-0.462D-03 0.420D-02 0.473D-01 0.731D-01 0.266D+00
 Coeff-Com:  0.610D+00
 Coeff:     -0.750D-04-0.462D-03 0.420D-02 0.473D-01 0.731D-01 0.266D+00
 Coeff:      0.610D+00
 Gap=     0.212 Goal=   None    Shift=    0.000
 RMSDP=6.22D-07 MaxDP=4.80D-05 DE=-1.46D-08 OVMax= 1.80D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.66D-07    CP:  1.55D+00  1.03D+00  9.23D-01  9.47D-01  8.81D-01
                    CP:  9.19D-01  8.49D-01
 E= -390.748914542840     Delta-E=       -0.000000001594 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.748914542840     IErMin= 8 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.01D-11 BMatP= 1.57D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-05-0.352D-03-0.563D-04 0.323D-02 0.578D-02 0.490D-01
 Coeff-Com:  0.215D+00 0.727D+00
 Coeff:     -0.171D-05-0.352D-03-0.563D-04 0.323D-02 0.578D-02 0.490D-01
 Coeff:      0.215D+00 0.727D+00
 Gap=     0.212 Goal=   None    Shift=    0.000
 RMSDP=1.32D-07 MaxDP=7.09D-06 DE=-1.59D-09 OVMax= 2.28D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.14D-07    CP:  1.55D+00  1.03D+00  9.23D-01  9.48D-01  8.82D-01
                    CP:  9.20D-01  8.64D-01  8.96D-01
 E= -390.748914542885     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 7.03D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.748914542885     IErMin= 9 ErrMin= 7.03D-08
 ErrMax= 7.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-12 BMatP= 5.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.263D-05-0.168D-03-0.241D-03-0.632D-03-0.459D-03 0.126D-01
 Coeff-Com:  0.870D-01 0.384D+00 0.517D+00
 Coeff:      0.263D-05-0.168D-03-0.241D-03-0.632D-03-0.459D-03 0.126D-01
 Coeff:      0.870D-01 0.384D+00 0.517D+00
 Gap=     0.212 Goal=   None    Shift=    0.000
 RMSDP=3.82D-08 MaxDP=2.25D-06 DE=-4.46D-11 OVMax= 8.76D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.53D-08    CP:  1.55D+00  1.03D+00  9.23D-01  9.48D-01  8.83D-01
                    CP:  9.20D-01  8.67D-01  9.05D-01  8.99D-01
 E= -390.748914542931     Delta-E=       -0.000000000046 Rises=F Damp=F
 DIIS: error= 1.52D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.748914542931     IErMin=10 ErrMin= 1.52D-08
 ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.43D-13 BMatP= 6.43D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.119D-05-0.434D-04-0.957D-04-0.532D-03-0.568D-03 0.113D-02
 Coeff-Com:  0.200D-01 0.101D+00 0.213D+00 0.666D+00
 Coeff:      0.119D-05-0.434D-04-0.957D-04-0.532D-03-0.568D-03 0.113D-02
 Coeff:      0.200D-01 0.101D+00 0.213D+00 0.666D+00
 Gap=     0.212 Goal=   None    Shift=    0.000
 RMSDP=8.66D-09 MaxDP=3.65D-07 DE=-4.64D-11 OVMax= 1.42D-07

 SCF Done:  E(RB3LYP) =  -390.748914543     A.U. after   10 cycles
            NFock= 10  Conv=0.87D-08     -V/T= 2.0063
 KE= 3.882991265318D+02 PE=-2.001693001754D+03 EE= 6.738563307090D+02
 Leave Link  502 at Thu Jul  8 18:12:05 2021, MaxMem= 10737418240 cpu:            2219.8 elap:             139.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   374
 NBasis=   374 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    374 NOA=    38 NOB=    38 NVA=   336 NVB=   336

 **** Warning!!: The largest alpha MO coefficient is  0.89144644D+02

 Leave Link  801 at Thu Jul  8 18:12:06 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8043 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.13D-13 8.33D-09 XBig12= 1.00D+00 4.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.13D-13 8.33D-09 XBig12= 2.35D-01 7.30D-02.
     11 vectors produced by pass  2 Test12= 2.13D-13 8.33D-09 XBig12= 5.32D-02 5.42D-02.
     11 vectors produced by pass  3 Test12= 2.13D-13 8.33D-09 XBig12= 3.53D-03 1.06D-02.
     11 vectors produced by pass  4 Test12= 2.13D-13 8.33D-09 XBig12= 2.15D-04 3.33D-03.
     11 vectors produced by pass  5 Test12= 2.13D-13 8.33D-09 XBig12= 7.79D-06 4.72D-04.
     11 vectors produced by pass  6 Test12= 2.13D-13 8.33D-09 XBig12= 1.88D-07 6.32D-05.
     11 vectors produced by pass  7 Test12= 2.13D-13 8.33D-09 XBig12= 2.33D-09 7.91D-06.
     11 vectors produced by pass  8 Test12= 2.13D-13 8.33D-09 XBig12= 3.06D-11 8.24D-07.
      8 vectors produced by pass  9 Test12= 2.13D-13 8.33D-09 XBig12= 3.22D-13 7.41D-08.
      1 vectors produced by pass 10 Test12= 2.13D-13 8.33D-09 XBig12= 8.16D-15 9.43D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.151029D+03
      2 -0.519609D+01  0.114821D+03
      3 -0.301777D+01  0.131101D+01  0.102862D+03
 Isotropic polarizability for W=    0.085645      122.90 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.422382D+02 -0.132924D+02  0.960363D+01
      2   0.519203D+01  0.112394D+02 -0.193043D+02
      3   0.370462D+02  0.205305D+01  0.970067D+01
      4  -0.373440D+02 -0.225587D+02 -0.854600D+01
      5   0.184372D+02 -0.113305D+02  0.331681D+02
      6   0.432531D+01 -0.290872D+01 -0.841696D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.555404D+01  0.477923D+00  0.189711D+01
      2   0.295191D+02 -0.540737D+01  0.949600D+01
      3  -0.205585D+02  0.102482D+02  0.839036D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.278446D+01  0.163956D+02  0.104700D+02
      2  -0.883357D+01 -0.128713D+02 -0.387814D+01
      3  -0.240515D+02  0.277508D+02  0.156558D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.795384D+00 -0.655400D+01  0.296765D+01
      2  -0.655400D+01 -0.179967D+01 -0.195196D+01
      3   0.296765D+01 -0.195196D+01 -0.156676D+01
 OR G Eigenvalues:    -7.2132    -2.9069     7.5491  Iso=     0.8570
 Eigenvectors:
   (1)   0.648772   0.756835  -0.079344
   (2)  -0.227295   0.292229   0.928945
   (3)   0.726245  -0.584639   0.361615
 w=    0.085645 a.u., Optical Rotation Beta=      0.8570 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =      298.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   70125 ScalPx= 2.15D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.84D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.55D-14 2.78D-09 XBig12= 1.00D+00 4.34D-01.
     30 vectors produced by pass  1 Test12= 3.55D-14 2.78D-09 XBig12= 2.71D-02 1.50D-02.
     30 vectors produced by pass  2 Test12= 3.55D-14 2.78D-09 XBig12= 7.50D-04 3.77D-03.
     30 vectors produced by pass  3 Test12= 3.55D-14 2.78D-09 XBig12= 1.34D-05 3.81D-04.
     30 vectors produced by pass  4 Test12= 3.55D-14 2.78D-09 XBig12= 7.31D-08 4.89D-05.
     30 vectors produced by pass  5 Test12= 3.55D-14 2.78D-09 XBig12= 3.67D-10 2.16D-06.
     30 vectors produced by pass  6 Test12= 3.55D-14 2.78D-09 XBig12= 1.30D-12 9.84D-08.
      9 vectors produced by pass  7 Test12= 3.55D-14 2.78D-09 XBig12= 7.05D-15 1.01D-08.
      2 vectors produced by pass  8 Test12= 3.55D-14 2.78D-09 XBig12= 1.40D-15 3.48D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.57D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   70125 ScalPx= 4.57D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   70125 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151029D+03 -0.519609D+01 -0.301777D+01
      2  -0.519609D+01  0.114821D+03  0.131101D+01
      3  -0.301777D+01  0.131101D+01  0.102862D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.555404D+01  0.477923D+00  0.189711D+01
      2   0.295191D+02 -0.540737D+01  0.949600D+01
      3  -0.205585D+02  0.102482D+02  0.839036D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.422382D+02 -0.132924D+02  0.960363D+01
      2   0.519203D+01  0.112394D+02 -0.193043D+02
      3   0.370462D+02  0.205305D+01  0.970067D+01
      4  -0.373440D+02 -0.225587D+02 -0.854600D+01
      5   0.184372D+02 -0.113305D+02  0.331681D+02
      6   0.432531D+01 -0.290872D+01 -0.841696D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.263566D+02 -0.926353D+00 -0.130060D+01 -0.321618D+01 -0.182093D+01
      2  -0.926353D+00  0.557378D-01 -0.221837D+00 -0.182093D+01 -0.645508D+01
      3  -0.130060D+01 -0.221837D+00 -0.479696D+01  0.405075D+00 -0.119452D+01
                 6             7             8             9            10 
      1   0.405075D+00 -0.676819D+01 -0.268402D+01 -0.604399D+01 -0.349910D+01
      2  -0.119452D+01 -0.268402D+01  0.257364D+00  0.156361D+01  0.250663D+01
      3   0.823219D+00 -0.604399D+01  0.156361D+01  0.315362D+01  0.120609D-03
                11            12            13            14            15 
      1   0.250663D+01  0.120609D-03 -0.485315D-01 -0.266806D+01  0.722654D+00
      2  -0.148313D+01  0.298486D+01 -0.266806D+01  0.636591D+01  0.161984D+01
      3   0.298486D+01 -0.217200D+01  0.722654D+00  0.161984D+01  0.581497D+00
                16            17            18            19            20 
      1  -0.126735D+01  0.485826D+01 -0.991586D+00  0.298545D+02 -0.408873D+01
      2   0.485826D+01  0.251602D+01 -0.194710D-01 -0.408873D+01  0.540660D+01
      3  -0.991586D+00 -0.194710D-01  0.142312D+01 -0.257799D+01 -0.356129D+00
                21            22            23            24            25 
      1  -0.257799D+01 -0.752300D+01  0.503602D+01  0.854710D+00 -0.751121D+01
      2  -0.356129D+00  0.503602D+01  0.394104D+01  0.329808D+00 -0.982204D-01
      3   0.249635D+01  0.854710D+00  0.329808D+00 -0.296272D+01  0.389575D+01
                26            27            28            29            30 
      1  -0.982204D-01  0.389575D+01 -0.252216D+02  0.509980D+01  0.302597D+01
      2  -0.848299D+00 -0.302865D+01  0.509980D+01 -0.416779D+01 -0.731702D+00
      3  -0.302865D+01 -0.429474D+01  0.302597D+01 -0.731702D+00 -0.404918D+01
                31            32            33            34            35 
      1   0.116943D+02 -0.676332D+01 -0.684385D+00  0.844109D+01 -0.155609D+01
      2  -0.676332D+01  0.157228D+01 -0.205240D+00 -0.155609D+01  0.130413D+01
      3  -0.684385D+00 -0.205240D+00  0.264434D+01 -0.467427D+01  0.791837D+00
                36            37            38            39            40 
      1  -0.467427D+01  0.140580D+02 -0.316053D+01 -0.103619D+00 -0.374348D+01
      2   0.791837D+00 -0.316053D+01 -0.373777D+00 -0.531683D+00  0.170287D+01
      3   0.257263D+01 -0.103619D+00 -0.531683D+00  0.300232D+01 -0.502483D+00
                41            42            43            44            45 
      1   0.170287D+01 -0.502483D+00 -0.668359D+00 -0.188742D+00  0.716867D+01
      2   0.675114D+01  0.142522D+01 -0.188742D+00  0.180784D+01 -0.129616D+01
      3   0.142522D+01 -0.166325D+01  0.716867D+01 -0.129616D+01 -0.546927D+01
                46            47            48            49            50 
      1  -0.899030D+00 -0.381652D+01 -0.224871D+01 -0.580223D+01  0.554960D+01
      2  -0.381652D+01  0.184393D+01  0.602274D-01  0.554960D+01 -0.124512D+01
      3  -0.224871D+01  0.602274D-01  0.270834D+01 -0.452630D+00  0.107359D+01
                51            52            53            54            55 
      1  -0.452630D+00 -0.240425D+01 -0.961920D+00  0.504974D+01  0.272030D+01
      2   0.107359D+01 -0.961920D+00  0.277801D+01 -0.395593D+01  0.145247D+01
      3  -0.266463D+01  0.504974D+01 -0.395593D+01  0.227479D+01  0.116827D+01
                56            57            58            59            60 
      1   0.145247D+01  0.116827D+01  0.194558D+01 -0.103281D+01 -0.183901D+00
      2  -0.105046D+00  0.208285D+00 -0.103281D+01 -0.852767D+01 -0.228099D+00
      3   0.208285D+00 -0.956320D+00 -0.183901D+00 -0.228099D+00  0.142327D+01
                61            62            63            64            65 
      1   0.191688D+01  0.363384D+00 -0.113605D+01  0.161521D+02 -0.126265D+01
      2   0.363384D+00  0.684371D+00  0.410198D+00 -0.126265D+01  0.255546D+01
      3  -0.113605D+01  0.410198D+00 -0.556295D+01  0.493132D+01 -0.711664D+00
                66            67            68            69            70 
      1   0.493132D+01  0.242089D+01  0.664386D+01  0.875162D+00  0.146893D+02
      2  -0.711664D+00  0.664386D+01 -0.455615D+01  0.111349D+01 -0.168664D+00
      3   0.367009D+01  0.875162D+00  0.111349D+01  0.943888D+00  0.489596D+01
                71            72            73            74            75 
      1  -0.168664D+00  0.489596D+01  0.476853D+01 -0.109294D+01 -0.211061D+01
      2   0.694221D+00  0.121744D+01 -0.109294D+01  0.366296D+00  0.559586D+00
      3   0.121744D+01 -0.128265D+01 -0.211061D+01  0.559586D+00  0.270850D+01
                76            77            78            79            80 
      1  -0.319422D+01  0.261854D+00  0.300192D+00 -0.242815D+01  0.661588D+00
      2   0.261854D+00 -0.727176D+00 -0.144489D+01  0.661588D+00 -0.178831D+01
      3   0.300192D+00 -0.144489D+01 -0.238533D+01  0.338262D+01 -0.272270D+01
                81            82            83            84            85 
      1   0.338262D+01  0.295753D+01  0.157995D+01 -0.129253D+01  0.938490D+00
      2  -0.272270D+01  0.157995D+01  0.187532D+01 -0.159875D+01  0.151852D+01
      3  -0.860605D+01 -0.129253D+01 -0.159875D+01  0.192534D+01 -0.138626D+01
                86            87            88            89            90 
      1   0.151852D+01 -0.138626D+01 -0.211966D+01 -0.190804D+01  0.154024D+01
      2   0.418745D+01 -0.242910D+01 -0.190804D+01 -0.271601D+01  0.220226D+01
      3  -0.242910D+01  0.205606D+01  0.154024D+01  0.220226D+01 -0.281385D+01
                91            92            93            94            95 
      1   0.210733D+00 -0.153902D+01 -0.638758D+00 -0.172758D+01 -0.151530D+01
      2  -0.153902D+01 -0.109237D+01  0.115661D+00 -0.151530D+01 -0.107439D+02
      3  -0.638758D+00  0.115661D+00  0.267499D+00 -0.215535D-01 -0.180544D+01
                96            97            98            99           100 
      1  -0.215535D-01 -0.233000D+01  0.262204D+00 -0.675711D+00 -0.582177D+00
      2  -0.180544D+01  0.262204D+00 -0.859639D+00 -0.522050D+00 -0.652181D+00
      3  -0.102888D+01 -0.675711D+00 -0.522050D+00 -0.809377D-01 -0.358516D+00
               101           102           103           104           105 
      1  -0.652181D+00 -0.358516D+00 -0.290444D+01 -0.344929D+01 -0.845255D-01
      2  -0.297933D+00 -0.473320D-01 -0.344929D+01 -0.862743D+01 -0.494977D+00
      3  -0.473320D-01 -0.213835D+00 -0.845255D-01 -0.494977D+00 -0.102238D+01
               106           107           108           109           110 
      1  -0.897451D+00 -0.461978D+00 -0.820365D+00 -0.121723D+02  0.132089D+01
      2  -0.461978D+00 -0.107643D+01 -0.931135D+00  0.132089D+01 -0.103583D+01
      3  -0.820365D+00 -0.931135D+00 -0.749950D-02 -0.232593D+01  0.664540D+00
               111           112           113           114           115 
      1  -0.232593D+01  0.550301D+01 -0.166658D+01  0.733817D+00 -0.557032D+01
      2   0.664540D+00 -0.166658D+01  0.790935D+00 -0.923648D+00  0.651427D+00
      3  -0.171893D+01  0.733817D+00 -0.923648D+00  0.102843D+01 -0.347589D+01
               116           117           118           119           120 
      1   0.651427D+00 -0.347589D+01 -0.527964D+01  0.870466D-01  0.213389D+01
      2  -0.114651D+01  0.777366D+00  0.870466D-01 -0.118582D+00  0.819919D-01
      3   0.777366D+00 -0.119512D+01  0.213389D+01  0.819919D-01 -0.197942D+01
               121           122           123           124           125 
      1   0.257065D+01 -0.914526D+00 -0.733927D+00  0.647593D+01  0.697550D+00
      2  -0.914526D+00 -0.239004D+00  0.889092D+00  0.697550D+00  0.977206D+00
      3  -0.733927D+00  0.889092D+00  0.110104D+01 -0.571860D+01  0.347194D+00
               126           127           128           129           130 
      1  -0.571860D+01 -0.555373D+01  0.269657D+01  0.264432D+01  0.247248D+01
      2   0.347194D+00  0.269657D+01 -0.230362D+01 -0.109178D+01 -0.217439D+01
      3   0.773738D+01  0.264432D+01 -0.109178D+01 -0.181578D+01 -0.921426D+00
               131           132           133           134           135 
      1  -0.217439D+01 -0.921426D+00  0.415891D+01 -0.155935D+01 -0.317965D+01
      2   0.191818D+01  0.119705D+01 -0.155935D+01  0.164696D+01  0.230741D+01
      3   0.119705D+01  0.125675D+01 -0.317965D+01  0.230741D+01  0.261453D+01
               136           137           138           139           140 
      1  -0.245375D+01  0.223879D+01 -0.112332D+01  0.207307D+01 -0.244742D+01
      2   0.223879D+01 -0.181737D+01  0.754331D+00 -0.244742D+01  0.408606D+01
      3  -0.112332D+01  0.754331D+00 -0.125116D+01  0.115460D+01 -0.230076D+01
               141           142           143           144           145 
      1   0.115460D+01 -0.294177D+01  0.248523D+01 -0.333897D+01 -0.619340D-01
      2  -0.230076D+01  0.248523D+01 -0.491095D+01  0.350712D+01 -0.145396D+00
      3   0.186188D+01 -0.333897D+01  0.350712D+01 -0.488036D+01  0.634225D+00
               146           147           148           149           150 
      1  -0.145396D+00  0.634225D+00 -0.732544D+00  0.494404D+00 -0.211044D+00
      2   0.217751D+00  0.179162D-01  0.494404D+00  0.404226D+00  0.950416D+00
      3   0.179162D-01  0.536197D+00 -0.211044D+00  0.950416D+00 -0.680545D+00
               151           152           153           154           155 
      1   0.150823D+01 -0.414765D+00  0.624607D+00  0.303834D+00  0.119873D+01
      2  -0.414765D+00  0.147343D+01  0.119041D+01  0.119873D+01  0.517325D+00
      3   0.624607D+00  0.119041D+01  0.723278D+01 -0.110448D+00  0.949876D-01
               156           157           158           159           160 
      1  -0.110448D+00  0.105919D+01  0.390601D+00  0.804589D-01 -0.536195D+00
      2   0.949876D-01  0.390601D+00  0.129700D+02  0.602253D+00  0.722874D-01
      3   0.212198D+00  0.804589D-01  0.602253D+00  0.746124D+00  0.113957D+00
               161           162           163           164           165 
      1   0.722874D-01  0.113957D+00  0.415271D+01  0.376224D+00 -0.355715D+01
      2  -0.118700D+01  0.121151D+01  0.376224D+00 -0.348963D+01 -0.613382D+00
      3   0.121151D+01  0.371991D+00 -0.355715D+01 -0.613382D+00 -0.204130D+01
               166           167           168           169           170 
      1  -0.265390D+00 -0.507390D+01 -0.893379D+00 -0.439116D+01 -0.663199D+00
      2  -0.507390D+01  0.600622D+01 -0.363561D+01 -0.663199D+00 -0.186176D+01
      3  -0.893379D+00 -0.363561D+01 -0.364521D+01 -0.306748D+01 -0.288304D+01
               171           172           173           174           175 
      1  -0.306748D+01 -0.398217D+01 -0.708729D+00 -0.383671D+01 -0.157054D+01
      2  -0.288304D+01 -0.708729D+00 -0.393258D+01 -0.105662D+01 -0.691712D+01
      3  -0.467348D+00 -0.383671D+01 -0.105662D+01 -0.111447D+01 -0.158861D+01
               176           177           178           179           180 
      1  -0.691712D+01 -0.158861D+01 -0.485449D+01 -0.158387D+01 -0.275362D+01
      2   0.554797D+01 -0.806704D-01 -0.158387D+01 -0.753742D+00 -0.299936D+01
      3  -0.806704D-01 -0.297637D+01 -0.275362D+01 -0.299936D+01  0.506295D+01
               181           182           183           184           185 
      1  -0.610143D+01 -0.280646D+00  0.124954D+01 -0.458101D+00 -0.111346D+00
      2  -0.280646D+00 -0.699472D+00  0.664127D+00 -0.111346D+00 -0.756911D+00
      3   0.124954D+01  0.664127D+00 -0.261386D+01  0.297510D+00  0.694197D+00
               186           187           188           189           190 
      1   0.297510D+00  0.975719D+00  0.354936D+00 -0.125493D+01  0.301075D+01
      2   0.694197D+00  0.354936D+00  0.608200D+00  0.901278D-01  0.791004D+00
      3   0.141521D+00 -0.125493D+01  0.901278D-01  0.144600D+01  0.294882D+01
               191           192           193           194           195 
      1   0.791004D+00  0.294882D+01  0.215726D+01  0.176844D+01  0.206530D+01
      2   0.133561D+01  0.696987D+00  0.176844D+01  0.125006D+01  0.203501D+01
      3   0.696987D+00  0.332785D+01  0.206530D+01  0.203501D+01  0.395869D+01
               196           197           198           199           200 
      1   0.194952D+01  0.862803D+00  0.306137D+01  0.174231D+01 -0.197908D+01
      2   0.862803D+00  0.124618D+01  0.166339D+01 -0.197908D+01  0.251921D+01
      3   0.306137D+01  0.166339D+01  0.568343D+01  0.137785D+01 -0.868819D+00
               201           202           203           204           205 
      1   0.137785D+01 -0.244999D+01  0.355894D+01 -0.119495D+01  0.422424D+00
      2  -0.868819D+00  0.355894D+01 -0.812764D+01  0.317145D+01 -0.229093D+00
      3   0.137216D+01 -0.119495D+01  0.317145D+01 -0.211069D+01  0.896540D+00
               206           207           208           209           210 
      1  -0.229093D+00  0.896540D+00  0.488954D+00  0.488469D+00 -0.827468D+00
      2   0.898985D+00 -0.100503D+01  0.488469D+00  0.433531D+00 -0.390544D-01
      3  -0.100503D+01  0.983902D+00 -0.827468D+00 -0.390544D-01  0.794950D+00
               211           212           213           214           215 
      1   0.124899D+01  0.110988D+01 -0.546628D+00 -0.281668D+01 -0.228763D+00
      2   0.110988D+01  0.355077D+00 -0.110699D+01 -0.228763D+00 -0.124991D+01
      3  -0.546628D+00 -0.110699D+01  0.201971D+01  0.285866D+01  0.156589D+01
               216           217           218           219           220 
      1   0.285866D+01  0.371433D+01 -0.223012D+01  0.150181D+00 -0.559602D+01
      2   0.156589D+01 -0.223012D+01  0.222370D+01  0.148829D+00  0.530390D+01
      3  -0.725069D+01  0.150181D+00  0.148829D+00  0.314385D+00  0.663435D+00
               221           222           223           224           225 
      1   0.530390D+01  0.663435D+00  0.106690D+01  0.428877D-01  0.109978D+01
      2  -0.766235D+01 -0.268830D+00  0.428877D-01  0.175266D+00 -0.668905D+00
      3  -0.268830D+00 -0.968596D+00  0.109978D+01 -0.668905D+00 -0.337428D+00
               226           227           228           229           230 
      1   0.802888D+01  0.204631D+01  0.214785D+01  0.514829D+01  0.321612D+01
      2   0.204631D+01  0.156667D+01  0.816425D+00  0.321612D+01  0.152194D+01
      3   0.214785D+01  0.816425D+00  0.138702D+01  0.125279D+01  0.101735D+01
               231           232           233           234 
      1   0.125279D+01  0.590031D+01  0.139416D+01  0.254324D+01
      2   0.101735D+01  0.139416D+01  0.133039D+01  0.118667D+01
      3   0.152219D+01  0.254324D+01  0.118667D+01  0.169176D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.384275D+01 -0.134500D+01 -0.263731D+01 -0.181995D+01  0.789809D+01
      2  -0.365823D+02 -0.302325D+00 -0.487856D+01 -0.363026D+01 -0.422281D+01
      3   0.369260D+02 -0.514895D+01  0.214025D+01  0.185585D+02  0.917198D+01
                 6             7             8             9            10 
      1   0.106117D+01  0.132895D+01  0.367821D+01  0.202646D+01  0.229221D+01
      2  -0.378261D+00 -0.254262D+02 -0.241745D+01 -0.529161D+01 -0.353839D+01
      3   0.307785D+01  0.145336D+02 -0.120160D+01  0.607063D+01 -0.826595D+01
                11            12            13            14            15 
      1  -0.333691D+01 -0.487416D+00 -0.184839D+00 -0.876600D+01 -0.499743D+01
      2   0.675389D+01  0.984106D+00 -0.999519D+00  0.121197D+01  0.162341D+01
      3  -0.170944D+01 -0.632984D+01  0.138965D+02 -0.150804D+02  0.670716D-01
                16            17            18            19            20 
      1  -0.136243D+01  0.289584D+01 -0.258435D+01 -0.306741D+00  0.537365D+00
      2  -0.494894D+01  0.679669D+01  0.196298D+01  0.289036D+02 -0.247906D+01
      3  -0.145765D+02  0.124355D+01 -0.277600D+01 -0.521650D+02  0.143835D+02
                21            22            23            24            25 
      1   0.443022D+01  0.273868D+01 -0.454597D+01 -0.372017D+01  0.101061D+02
      2  -0.495696D+01 -0.920147D+01  0.504186D+01  0.346097D+01 -0.266449D+02
      3   0.300280D+01  0.264902D+02 -0.706928D+01 -0.329902D+01  0.137061D+02
                26            27            28            29            30 
      1   0.906489D+00 -0.349901D+01  0.106659D+01  0.467465D+00 -0.356151D+01
      2   0.288090D+01  0.804989D+01 -0.284907D+02  0.309973D+01  0.924454D+01
      3  -0.486552D+01 -0.102528D+02  0.465317D+02 -0.183831D+02 -0.611740D+01
                31            32            33            34            35 
      1   0.109840D+01  0.145244D+01  0.145610D+01 -0.840670D+01  0.107111D+02
      2   0.133130D+02 -0.318098D+01 -0.431382D+01  0.303979D+01 -0.242470D+01
      3  -0.205392D+02  0.878616D+01 -0.178625D+01 -0.176852D+02  0.253130D+01
                36            37            38            39            40 
      1   0.373801D+01 -0.127919D+01  0.230254D+00  0.122592D+01  0.102448D+01
      2  -0.654440D+01 -0.207821D+01  0.281703D+01 -0.106243D+02  0.398011D+01
      3   0.770450D+01 -0.265381D+02  0.112638D+01 -0.158659D+01  0.146818D+02
                41            42            43            44            45 
      1   0.327412D+01 -0.287664D+01  0.633025D+01  0.510080D+00 -0.541454D+01
      2  -0.594351D+01  0.600331D+01 -0.383201D+02  0.539573D+01  0.233662D+02
      3   0.245411D+02  0.591295D+01 -0.263357D+01  0.749342D+01 -0.123695D+02
                46            47            48            49            50 
      1   0.379338D+01  0.627288D+00 -0.477761D+01  0.273007D+01 -0.261490D+01
      2   0.759771D+01 -0.184832D+01 -0.466350D+01 -0.182567D+01 -0.784025D+00
      3  -0.105757D+02 -0.675475D+01 -0.527731D+01  0.106927D+02 -0.531404D+01
                51            52            53            54            55 
      1   0.338897D+01 -0.130864D+02  0.134340D+02 -0.258353D+01 -0.217768D+01
      2   0.559709D+01 -0.159729D+02  0.933240D+01 -0.288346D+01 -0.393893D+01
      3   0.340925D+01 -0.796533D+01  0.931270D+01 -0.323088D+01  0.115595D+02
                56            57            58            59            60 
      1  -0.130052D+01  0.242999D+01  0.506901D+00 -0.777850D+01 -0.539005D+01
      2  -0.409115D+00  0.129716D+01 -0.275548D+01  0.155769D+01 -0.668880D+00
      3   0.650335D+01  0.470042D+01  0.123290D+02 -0.672162D+01  0.492520D+00
                61            62            63            64            65 
      1   0.307143D+01  0.351565D+01  0.134642D+02 -0.120299D+01  0.312302D+01
      2  -0.122360D+01 -0.121027D+01  0.317915D+01  0.321249D+02 -0.184393D+01
      3   0.454104D+01  0.220509D+00 -0.105657D+01 -0.107698D+02 -0.124540D+02
                66            67            68            69            70 
      1   0.252276D+01 -0.517675D+01  0.257326D+01 -0.373278D+01 -0.276450D+01
      2   0.134819D+02  0.745159D+01  0.471665D+01  0.412781D+01  0.129139D+02
      3  -0.854423D+00 -0.193876D+02  0.108337D+02 -0.273138D+01 -0.124022D+02
                71            72            73            74            75 
      1   0.631759D+01  0.361703D+00 -0.198249D+01 -0.383287D+00  0.157421D+01
      2   0.511061D+01 -0.786807D+00  0.555675D+01 -0.917828D+00  0.124476D+01
      3  -0.235707D+01 -0.716800D+01 -0.468270D+01 -0.136119D+01  0.100177D+01
                76            77            78            79            80 
      1   0.509307D+00  0.187920D-01 -0.977779D+00  0.208191D+01  0.379141D+01
      2  -0.413000D+01 -0.103233D+01 -0.168065D+01 -0.285607D+01 -0.942376D+00
      3   0.842178D+01 -0.712714D+00  0.328572D+00  0.127703D+01  0.186154D+01
                81            82            83            84            85 
      1  -0.258437D+01  0.370825D+00  0.487192D-01 -0.193226D+01  0.423852D+00
      2  -0.257514D+01  0.241171D+01 -0.897855D+00  0.244951D+01 -0.586949D+00
      3  -0.945046D+00  0.821905D+00 -0.252514D+01  0.275591D+00  0.392277D+01
                86            87            88            89            90 
      1  -0.134211D+01 -0.304510D+01 -0.901670D+00  0.711868D+00  0.274525D+01
      2  -0.123095D+01  0.125840D+01 -0.226221D+01 -0.454724D-01 -0.212412D+01
      3  -0.417065D+01  0.133487D+01 -0.398272D+00  0.207021D+01 -0.989206D-01
                91            92            93            94            95 
      1  -0.763266D+00  0.124772D+01 -0.390029D+00  0.123677D+01  0.659316D+01
      2   0.494504D+00 -0.126827D+01 -0.773540D-01 -0.181043D+01 -0.930345D+00
      3  -0.346406D+00 -0.242890D+00  0.945532D+00  0.459916D+01 -0.794927D+01
                96            97            98            99           100 
      1  -0.423533D+01 -0.383653D+01  0.111563D+01  0.962201D+00 -0.746604D+00
      2   0.152677D+01 -0.242370D+01  0.152254D+00 -0.931217D+00  0.131506D+01
      3  -0.109753D+01  0.640574D+01 -0.913639D+00  0.381247D+00 -0.274348D+01
               101           102           103           104           105 
      1  -0.544555D+00 -0.135589D+00 -0.567644D+00 -0.226377D+01 -0.418766D+01
      2   0.380893D+00  0.145318D+01  0.261691D+00  0.179083D+01  0.426005D+01
      3  -0.221666D+01  0.353853D+00 -0.523263D+01 -0.282402D+02 -0.200846D+01
               106           107           108           109           110 
      1  -0.200706D+00 -0.231359D+00 -0.475223D+00 -0.820200D-01  0.960516D+00
      2   0.154566D+01  0.243997D+01 -0.592761D-01  0.926851D+01 -0.237515D+01
      3  -0.331696D+00 -0.348920D+01 -0.188484D+01  0.165664D+02 -0.809676D+01
               111           112           113           114           115 
      1  -0.977543D+00  0.121916D+00 -0.990649D+00 -0.196680D+00 -0.126296D+01
      2   0.938115D+01 -0.402945D+01  0.329350D+01 -0.445239D+01  0.129206D+02
      3   0.473623D+01 -0.940530D+01  0.451557D+01 -0.401652D+01  0.729676D+01
               116           117           118           119           120 
      1   0.159413D+01 -0.637892D+00  0.235105D+01 -0.648750D+00 -0.187088D+01
      2  -0.307634D+01  0.486924D+01 -0.759751D+01 -0.746129D+00  0.862534D+01
      3  -0.612653D+01  0.589929D+01  0.688594D+01 -0.216205D+01 -0.231967D+01
               121           122           123           124           125 
      1  -0.960024D+00  0.105541D+01  0.534228D+00 -0.370488D+01  0.333985D+01
      2   0.245938D+01 -0.284527D+01 -0.433782D+01  0.205679D+02 -0.119502D+01
      3  -0.321426D+01  0.406381D-01  0.321299D+01 -0.470758D+01  0.464746D+01
               126           127           128           129           130 
      1   0.727719D+01 -0.477758D+01  0.118281D+01  0.408590D+01  0.115407D+01
      2  -0.302201D+02 -0.547744D+01  0.330418D+01  0.620486D+01  0.212081D+01
      3   0.713666D+01 -0.381993D+01 -0.480252D+01  0.140848D+01  0.103193D+01
               131           132           133           134           135 
      1  -0.152348D+01 -0.310230D+01  0.557047D+01 -0.176954D+01 -0.469202D+01
      2  -0.282051D+01 -0.356912D+01  0.478807D+01 -0.532921D+01 -0.688043D+01
      3   0.681873D+00  0.741133D+00  0.545671D+01  0.202237D+01  0.260927D+00
               136           137           138           139           140 
      1   0.183992D+01 -0.131295D+01  0.238722D+01 -0.156851D+01  0.247816D+01
      2   0.129362D+01 -0.754004D+00  0.391413D+01 -0.397268D+00  0.339810D+01
      3   0.147915D+01 -0.187985D+01  0.493256D+00 -0.959693D+00  0.780152D+01
               141           142           143           144           145 
      1  -0.496656D+01  0.677728D+01 -0.512159D+01  0.865638D+01 -0.248724D+01
      2  -0.412283D+01  0.459605D+01 -0.655064D+01  0.947508D+01 -0.454534D+00
      3  -0.322187D+01  0.975505D+00 -0.104202D+02  0.373095D+01 -0.471244D+00
               146           147           148           149           150 
      1   0.109251D+01 -0.176816D+01  0.126162D+01 -0.169458D+01  0.204374D+01
      2   0.339498D+00 -0.507376D-01  0.190628D+01 -0.162887D+01  0.926840D+00
      3  -0.282205D+01  0.165821D+01 -0.202421D+01  0.773282D+00  0.167984D+00
               151           152           153           154           155 
      1  -0.217791D+01  0.196213D+01 -0.163345D+02  0.941545D+00  0.373289D+00
      2  -0.437205D+01  0.325970D-01 -0.386907D+01  0.851888D+00 -0.640593D+00
      3   0.478134D+01 -0.798875D+00  0.114093D+01  0.656135D+00  0.122537D+01
               156           157           158           159           160 
      1  -0.593123D+00 -0.173969D+00  0.479852D+01 -0.478708D+01 -0.679287D+00
      2   0.987638D+00 -0.147534D+01 -0.987698D+00 -0.320004D+00 -0.656054D+00
      3  -0.810751D+00  0.776660D+01  0.618054D+01  0.281680D+00 -0.137231D+01
               161           162           163           164           165 
      1  -0.171991D+01 -0.343624D+00 -0.145409D+01 -0.750078D+01 -0.282916D+01
      2  -0.352690D+00 -0.619242D+00 -0.183701D+02 -0.276306D+01  0.732590D+01
      3  -0.103784D+01  0.125517D+01 -0.429691D+01  0.391799D+01  0.446116D+01
               166           167           168           169           170 
      1  -0.116336D+02  0.907686D+01 -0.131786D+02 -0.375915D+01 -0.578008D+01
      2  -0.416268D+01  0.872659D+00 -0.444092D+01 -0.742575D+00 -0.368155D+01
      3   0.117088D+02 -0.798848D+01  0.718045D+01  0.526912D+01  0.474998D+01
               171           172           173           174           175 
      1  -0.717987D+01 -0.126812D+01  0.107564D+01 -0.574108D+00  0.290500D+01
      2   0.101270D+01 -0.164349D+02 -0.411542D+01 -0.676334D+01 -0.618927D+01
      3   0.764224D+01  0.598493D+01  0.154407D+02  0.522550D+01  0.328856D+02
               176           177           178           179           180 
      1  -0.290210D+01 -0.259444D+01 -0.461388D+00  0.107908D+01  0.342065D+01
      2  -0.498218D+01 -0.121395D+02 -0.184488D+02 -0.116248D+02  0.179880D+02
      3  -0.185914D+02  0.102867D+01  0.824309D+01  0.229275D+01  0.123683D+02
               181           182           183           184           185 
      1  -0.759651D-01 -0.232494D+01 -0.147401D+01 -0.135730D+01  0.110187D+00
      2   0.208869D+02  0.100560D+01 -0.407384D+01  0.115499D+01  0.177390D+01
      3   0.713845D+01 -0.660302D+00 -0.142249D+01  0.231351D+01  0.827425D+00
               186           187           188           189           190 
      1   0.725075D-01 -0.125561D+01  0.218293D+01  0.822647D+00  0.415738D+01
      2  -0.254327D+00 -0.579312D+01 -0.514882D+00  0.396063D+01  0.977222D+00
      3  -0.720128D+00 -0.752164D+00  0.109768D-01  0.115434D+01 -0.324011D+01
               191           192           193           194           195 
      1   0.451799D+01  0.387483D+01  0.503436D+01  0.560157D+01  0.571384D+01
      2  -0.224288D+00  0.353396D+01 -0.768507D+00  0.160967D+01  0.516073D+01
      3  -0.412375D+01 -0.351384D+01 -0.339255D+01 -0.416672D+01 -0.513683D+01
               196           197           198           199           200 
      1   0.458979D+01  0.625289D+01  0.769553D+01 -0.255770D+01  0.462564D+01
      2  -0.208413D+01  0.133396D+01  0.643995D+01 -0.363737D+00  0.112478D+01
      3  -0.195281D+01 -0.405227D+01 -0.499454D+01  0.185649D+01 -0.444169D+01
               201           202           203           204           205 
      1   0.937523D+00  0.612115D+01 -0.135681D+02  0.883923D+00  0.409580D-01
      2   0.196422D+01  0.328244D+01  0.898539D+00 -0.344590D+01 -0.645416D+00
      3   0.961151D+00 -0.133868D+01  0.122745D+02 -0.475524D+01 -0.560653D+00
               206           207           208           209           210 
      1   0.238480D+01 -0.840750D+00 -0.602179D+00 -0.430422D+00  0.360102D+00
      2  -0.624784D+00  0.722629D+00 -0.322253D+01  0.556655D-01  0.354447D+01
      3  -0.113571D+01  0.813187D+00 -0.176904D+01 -0.206993D+01  0.707915D+00
               211           212           213           214           215 
      1  -0.404556D+00 -0.114997D+01  0.226584D+00  0.803124D+00  0.412173D+01
      2  -0.402265D+00 -0.273034D+01  0.712465D+01  0.434492D+01  0.565414D+01
      3  -0.262381D+01 -0.181934D+01  0.384409D+01  0.117277D+01  0.533747D+01
               216           217           218           219           220 
      1  -0.273129D+01  0.938749D+00 -0.104444D+01  0.882769D+00 -0.123484D+01
      2  -0.241268D+02  0.217652D+01 -0.562450D+00  0.297974D+01 -0.268356D+00
      3  -0.678336D+01  0.621870D+01 -0.905034D+01 -0.686894D+00 -0.137158D+02
               221           222           223           224           225 
      1   0.336981D+01 -0.335690D+01  0.294535D+00  0.458629D+00  0.824316D-01
      2   0.193066D+01 -0.453186D+01  0.274388D+01 -0.165813D+01 -0.789806D+00
      3   0.266137D+02  0.424118D+00 -0.132058D+01 -0.613149D+00  0.150553D+01
               226           227           228           229           230 
      1   0.169441D+00  0.623160D-01 -0.702742D+00 -0.276142D+00  0.185258D+00
      2   0.111820D+02  0.392101D+01  0.890349D+01  0.670265D+01  0.522379D+01
      3  -0.103419D+02 -0.910010D+01 -0.380832D+01 -0.119426D+02 -0.781913D+01
               231           232           233           234 
      1  -0.146700D+01  0.266461D+00  0.106660D+01 -0.696284D+00
      2   0.758622D+01  0.983750D+01  0.512028D+01  0.818374D+01
      3  -0.423969D+01 -0.699981D+01 -0.678259D+01 -0.550332D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.175483D+01  0.144847D+01 -0.864356D+01  0.225933D+01 -0.281152D+01
      2   0.135631D+02 -0.357606D+01 -0.660545D+00 -0.111675D+00  0.607924D+01
      3  -0.153180D+02  0.212759D+01  0.930411D+01 -0.214765D+01 -0.326772D+01
      4   0.148750D+02  0.313592D+01 -0.405180D+01 -0.181727D+01  0.457031D+00
      5   0.460834D+00 -0.498293D+01 -0.129565D+02  0.320490D+01 -0.151426D+01
      6  -0.160970D+01 -0.167848D+01  0.679860D+00  0.829166D-01  0.768099D+01
                 6             7             8             9            10 
      1   0.597868D+01 -0.293349D+02 -0.512708D-01  0.864973D+01 -0.725677D+01
      2  -0.279880D-01  0.299813D+01  0.338139D+01  0.931554D+01  0.436499D+01
      3  -0.595070D+01  0.263367D+02 -0.333012D+01 -0.179653D+02  0.289178D+01
      4  -0.122796D+01 -0.920338D+01  0.495655D+01  0.787497D+01  0.588210D+01
      5   0.238885D+01 -0.190262D+02  0.546233D+01  0.143703D+02  0.891017D-02
      6  -0.261399D+01  0.860555D+01 -0.183591D+01 -0.103981D+02  0.575491D+01
                11            12            13            14            15 
      1   0.724931D+01 -0.443794D+01  0.892320D+01 -0.125584D+02 -0.241371D+01
      2   0.182138D+01  0.516591D+01 -0.351087D+01  0.128016D+02  0.478067D+01
      3  -0.907070D+01 -0.727973D+00 -0.541233D+01 -0.243212D+00 -0.236695D+01
      4  -0.662185D+01  0.919497D+01 -0.997874D+01  0.143336D+01  0.755868D+01
      5   0.878715D+01 -0.515245D+01  0.143225D+01  0.502892D+01 -0.384473D+01
      6   0.409921D+01 -0.559109D+01  0.721442D+01  0.535896D+01 -0.402553D+01
                16            17            18            19            20 
      1  -0.704362D+01  0.750791D+01 -0.201994D+01 -0.534611D+02  0.139140D+02
      2   0.455888D+01 -0.165922D+01  0.141746D+01  0.188151D+02 -0.104639D+02
      3   0.248474D+01 -0.584869D+01  0.602474D+00  0.346460D+02 -0.345014D+01
      4   0.154559D+02  0.354327D+01 -0.454154D+01 -0.152761D+02 -0.110224D+02
      5  -0.638967D+01 -0.350998D+01  0.456634D+01 -0.188952D+01  0.212112D+01
      6  -0.575108D+01 -0.613250D+01  0.878814D+01  0.524328D+01 -0.184789D+01
                21            22            23            24            25 
      1   0.509294D+01  0.306273D+02  0.581987D+01 -0.370963D+01  0.202222D+02
      2   0.452729D-01 -0.251232D+02 -0.230997D+02 -0.383497D+01 -0.847259D+00
      3  -0.513821D+01 -0.550418D+01  0.172798D+02  0.754461D+01 -0.193749D+02
      4   0.258839D+01 -0.232535D+01 -0.124369D+02 -0.142998D+01  0.354293D+01
      5  -0.423999D+01 -0.674683D+01 -0.310989D+01  0.451144D+01  0.453555D+01
      6  -0.543268D+01 -0.561435D+01 -0.858459D+01  0.670560D+01 -0.121326D+02
                26            27            28            29            30 
      1  -0.355353D+01 -0.236135D+02  0.746546D+02 -0.251855D+02 -0.152002D+02
      2  -0.633781D+01 -0.199616D+00 -0.392699D+02  0.119604D+02  0.389666D+01
      3   0.989134D+01  0.238131D+02 -0.353847D+02  0.132251D+02  0.113036D+02
      4   0.577722D+01  0.228817D+01  0.193367D+01  0.729274D+01  0.127929D+01
      5   0.341857D+01  0.101950D+02 -0.219487D+01  0.354671D+01  0.144967D+02
      6   0.135046D+02  0.127610D+02 -0.433319D+01  0.797070D+01  0.586158D+01
                31            32            33            34            35 
      1  -0.264130D+02  0.726285D+01  0.365153D+01 -0.169434D+02  0.558512D+01
      2   0.106388D+02  0.928685D+01  0.135459D+01  0.574576D+01 -0.139684D+01
      3   0.157742D+02 -0.165497D+02 -0.500612D+01  0.111976D+02 -0.418828D+01
      4   0.162879D+02  0.162175D+01  0.575020D+00  0.171911D+01  0.589812D+00
      5  -0.125371D+01  0.441346D+01 -0.692229D+01  0.234484D+02 -0.403454D+01
      6   0.674548D+01 -0.656434D+01 -0.312925D+01  0.596093D+01  0.259329D+01
                36            37            38            39            40 
      1   0.106275D+02 -0.722149D+02  0.239626D+02 -0.113214D+02  0.353748D+02
      2  -0.112918D+02  0.444002D+02 -0.131765D+02  0.251554D+01 -0.260583D+02
      3   0.664224D+00  0.278147D+02 -0.107860D+02  0.880584D+01 -0.931655D+01
      4  -0.420395D+00  0.110349D+02  0.285510D+01  0.455455D+01 -0.722337D+01
      5  -0.590632D+01 -0.150255D+02  0.453381D+01 -0.239757D+02  0.610646D+01
      6  -0.624276D+01  0.135446D+01 -0.720031D-01 -0.266905D+01 -0.106670D+01
                41            42            43            44            45 
      1   0.673123D+01  0.814290D+01 -0.198232D+02  0.732559D+01 -0.322368D+02
      2  -0.217696D+02 -0.536436D+01 -0.147233D+00 -0.632019D+01  0.301118D+02
      3   0.150384D+02 -0.277853D+01  0.199705D+02 -0.100539D+01  0.212494D+01
      4  -0.413086D+02 -0.869011D+01  0.343586D+01 -0.983029D+01  0.308224D+01
      5  -0.108830D+02  0.116208D+02 -0.590063D+02  0.104924D+02  0.403149D+02
      6  -0.270656D+01  0.279390D+01 -0.790097D+01  0.171828D+01  0.753113D+01
                46            47            48            49            50 
      1   0.882938D+01  0.851656D+01  0.975465D+01  0.658393D+01 -0.119249D+02
      2  -0.529748D+01 -0.415043D+01 -0.459761D+01 -0.285698D+00  0.764364D+01
      3  -0.353190D+01 -0.436613D+01 -0.515704D+01 -0.629823D+01  0.428127D+01
      4   0.174428D+02 -0.153356D+02 -0.729247D+01 -0.284340D+02  0.889813D+01
      5   0.125783D+02 -0.539107D+01 -0.144755D+02  0.197090D+01 -0.561379D+01
      6  -0.101547D+02 -0.367128D+01  0.112151D+02 -0.659161D+01  0.114005D+02
                51            52            53            54            55 
      1  -0.103753D+01  0.862139D+01 -0.540479D+01 -0.606129D+01 -0.119474D+02
      2   0.268393D+01 -0.505301D+01  0.567518D+01  0.371903D+00  0.875015D+01
      3  -0.164640D+01 -0.356838D+01 -0.270393D+00  0.568938D+01  0.319725D+01
      4  -0.302428D+01  0.202569D+00 -0.121845D+02  0.251460D+02  0.132625D+00
      5   0.127800D+02 -0.274513D+02  0.224248D+02 -0.666919D+01 -0.169255D+01
      6  -0.131973D+02  0.227776D+02 -0.254249D+02  0.106833D+02  0.777491D+01
                56            57            58            59            60 
      1   0.170456D+01 -0.178571D+01 -0.235478D+01  0.335883D+02 -0.915589D+00
      2  -0.653722D+01  0.146856D+01  0.366643D-02 -0.555128D+02 -0.189756D+01
      3   0.483266D+01  0.317141D+00  0.235112D+01  0.219246D+02  0.281315D+01
      4  -0.149487D+01  0.335663D+01  0.719883D+01  0.615134D+01 -0.842883D+00
      5   0.220161D+01 -0.784265D+00 -0.143577D+01 -0.155757D+01 -0.115124D+00
      6   0.665197D+00 -0.175208D+01 -0.428235D+00 -0.451862D+01  0.448534D+01
                61            62            63            64            65 
      1  -0.153153D+01 -0.186732D+01  0.124316D+02  0.530672D+01 -0.310215D+01
      2   0.134325D+01  0.637494D+01  0.667939D+01 -0.100273D+02 -0.675904D+00
      3   0.188275D+00 -0.450762D+01 -0.191110D+02  0.472055D+01  0.377805D+01
      4  -0.157388D+01  0.118590D+01 -0.551712D+01 -0.878366D+01  0.107775D+02
      5   0.572160D+01 -0.204430D+01  0.112028D+01  0.206239D+02 -0.857722D+00
      6  -0.364480D+01  0.342188D+01 -0.183957D+02 -0.485474D+01  0.367557D+01
                66            67            68            69            70 
      1   0.183096D+02 -0.475401D+01  0.162609D+02 -0.720869D-01  0.260416D+02
      2  -0.117557D+02 -0.829145D+00 -0.463963D+01 -0.205505D+01 -0.153053D+02
      3  -0.655390D+01  0.558316D+01 -0.116213D+02  0.212714D+01 -0.107364D+02
      4  -0.286970D+01  0.241086D+02 -0.196034D+02  0.399912D+01 -0.506869D+01
      5   0.123299D+02 -0.854288D-02  0.585573D+01  0.581639D+01  0.215772D+02
      6   0.118696D+01  0.153839D+01 -0.534292D+01  0.289437D+01 -0.299709D+01
                71            72            73            74            75 
      1  -0.100365D+01  0.529689D+01 -0.208937D+01 -0.146302D+00  0.447859D+01
      2  -0.194658D+01 -0.927768D+01 -0.579865D+01  0.149973D+01  0.430462D+01
      3   0.295024D+01  0.398079D+01  0.788801D+01 -0.135343D+01 -0.878321D+01
      4   0.291508D+01  0.436727D+01 -0.723368D+01  0.527263D+01  0.432136D+01
      5   0.576177D+01 -0.640769D+01 -0.907516D+01  0.386859D+01  0.141454D+02
      6   0.389377D+01  0.215421D+01  0.477240D+01 -0.249620D+01 -0.433738D+01
                76            77            78            79            80 
      1   0.573671D+01 -0.727848D+01 -0.779415D+01  0.701872D+01 -0.756062D+01
      2  -0.114543D+01  0.126686D+01 -0.305056D+00  0.653587D+01 -0.281543D+01
      3  -0.459128D+01  0.601162D+01  0.809920D+01 -0.135546D+02  0.103761D+02
      4   0.434466D+01 -0.193557D+01 -0.444956D+01  0.573263D+01 -0.429006D+01
      5   0.433872D+01 -0.441669D+01 -0.531730D+01  0.151861D+02 -0.643562D+01
      6  -0.313228D+01  0.622987D+01  0.108334D+02 -0.498131D+01  0.102984D+02
                81            82            83            84            85 
      1  -0.278737D+02  0.619822D+01 -0.132050D+01  0.665039D+00 -0.169375D+01
      2  -0.154199D+02 -0.194349D+01  0.277146D+01 -0.599225D+00  0.361460D+01
      3   0.432935D+02 -0.425473D+01 -0.145096D+01 -0.658145D-01 -0.192085D+01
      4  -0.827463D+01  0.118663D+02  0.135172D+02 -0.891428D+01  0.114544D+02
      5  -0.207570D+02 -0.714187D+01 -0.728035D+01  0.923771D+01 -0.579132D+01
      6   0.176637D+02 -0.824348D+01 -0.710048D+01  0.703045D+01 -0.757526D+01
                86            87            88            89            90 
      1  -0.109044D+02  0.513476D+01 -0.106295D+00  0.495666D+01 -0.689539D+01
      2   0.138780D+02 -0.531463D+01  0.278571D+00 -0.435116D+01  0.587193D+00
      3  -0.297355D+01  0.179865D+00 -0.172276D+00 -0.605496D+00  0.630820D+01
      4   0.170470D+02 -0.100617D+02 -0.919335D+01 -0.100231D+02  0.104581D+02
      5  -0.809555D+01  0.612870D+01  0.788401D+01  0.770053D+01 -0.956173D+01
      6  -0.156228D+02  0.134659D+02  0.807439D+01  0.139862D+02 -0.141699D+02
                91            92            93            94            95 
      1  -0.257108D+01  0.546882D+00  0.197987D+01  0.107043D+01 -0.344089D+02
      2   0.417911D+01  0.334745D+01 -0.685590D+00  0.304641D+01  0.503424D+02
      3  -0.160803D+01 -0.389433D+01 -0.129428D+01 -0.411684D+01 -0.159334D+02
      4   0.294127D+01  0.105906D+02  0.140895D+01  0.938692D+01  0.212688D+02
      5   0.132072D+01  0.183213D+01  0.176892D+01  0.247039D+01  0.545598D+01
      6   0.375730D+01 -0.145473D-01 -0.721243D-01  0.145352D+01  0.168964D+02
                96            97            98            99           100 
      1  -0.715199D+01  0.407197D+01 -0.400365D+01 -0.834932D+00  0.484414D+01
      2   0.713930D+01 -0.349587D+01  0.454399D+01  0.284588D+01  0.427005D+00
      3   0.126886D-01 -0.576096D+00 -0.540334D+00 -0.201095D+01 -0.527115D+01
      4   0.340784D+01  0.142731D+01 -0.232422D+00  0.111528D+01  0.617738D+01
      5   0.339564D+01  0.292214D+01  0.137750D+01 -0.376496D+00  0.246396D+01
      6   0.940945D+01  0.342064D+01  0.494652D+01  0.153033D+01  0.734623D+00
               101           102           103           104           105 
      1   0.571212D+01  0.244186D+01  0.105693D+02 -0.656562D+01 -0.870880D+00
      2  -0.203138D+01 -0.963200D+00  0.434772D+01  0.315610D+02  0.193687D+01
      3  -0.368074D+01 -0.147866D+01 -0.149170D+02 -0.249954D+02 -0.106599D+01
      4   0.904022D+01  0.848168D+00  0.283632D+02  0.583924D+02  0.378419D+01
      5   0.152637D+00  0.298652D+01  0.867567D+00  0.477072D+01  0.806243D+01
      6   0.192153D+00  0.225984D+00  0.452524D+00  0.127358D+00  0.659867D+01
               106           107           108           109           110 
      1   0.487090D+01 -0.814407D+00  0.417939D+00  0.914595D+02 -0.123590D+02
      2  -0.970347D+00  0.266672D+01  0.506337D+00 -0.495448D+02  0.821654D+01
      3  -0.390055D+01 -0.185231D+01 -0.924276D+00 -0.419146D+02  0.414244D+01
      4   0.375544D+01  0.762059D+01  0.585694D+01 -0.629335D+00  0.106921D+02
      5   0.718889D+01  0.562541D+01  0.917212D-02  0.287114D+02 -0.532242D+01
      6   0.254085D+01  0.685607D+01  0.142473D+01  0.882346D+00 -0.343050D+00
               111           112           113           114           115 
      1   0.203001D+02 -0.384687D+02  0.108378D+02 -0.662198D+01  0.431784D+02
      2  -0.115354D+02  0.217550D+02 -0.455018D+01  0.446771D+01 -0.236339D+02
      3  -0.876473D+01  0.167137D+02 -0.628766D+01  0.215427D+01 -0.195444D+02
      4  -0.271335D+01  0.118199D+02 -0.585579D+01  0.638403D+01 -0.115256D+01
      5   0.184986D+02 -0.106844D+02  0.765276D+01 -0.846357D+01  0.348437D+02
      6   0.217995D+01  0.179342D+01 -0.387962D+00  0.682243D+00  0.273106D+01
               116           117           118           119           120 
      1  -0.568908D+01  0.201786D+02  0.299294D+02 -0.200549D+01 -0.116000D+02
      2   0.485558D+01 -0.159102D+02 -0.203145D+02  0.154441D+01  0.925038D+01
      3   0.833499D+00 -0.426842D+01 -0.961493D+01  0.461072D+00  0.234957D+01
      4   0.862410D+01 -0.267356D+01  0.451227D+01  0.354446D+01 -0.271633D+01
      5  -0.635438D+01  0.125043D+02 -0.164675D+02 -0.504327D+00  0.205146D+02
      6   0.127561D+01  0.951022D-02 -0.322072D+01 -0.731190D+00  0.334818D+01
               121           122           123           124           125 
      1  -0.145460D+02  0.143078D+01  0.262064D+01 -0.254557D+02 -0.207903D+01
      2   0.108983D+02 -0.365151D+00 -0.420615D+01  0.242905D+02 -0.776493D+00
      3   0.364773D+01 -0.106563D+01  0.158552D+01  0.116524D+01  0.285552D+01
      4   0.629939D+01  0.188127D+01 -0.585916D+01 -0.103315D+02 -0.937394D+01
      5   0.523238D+01 -0.589950D+01 -0.785247D+01  0.484935D+02 -0.217144D+01
      6  -0.198287D+01 -0.826743D-01  0.328162D+01  0.818239D+01  0.436453D+01
               126           127           128           129           130 
      1   0.171690D+02  0.219301D+02 -0.695422D+01 -0.968202D+01 -0.447370D+01
      2  -0.280205D+02 -0.912375D+01  0.291978D+00  0.477586D+01 -0.213855D+01
      3   0.108516D+02 -0.128063D+02  0.666225D+01  0.490616D+01  0.661225D+01
      4   0.246153D+01 -0.239823D+02  0.180745D+02  0.103462D+02  0.159807D+02
      5  -0.582333D+02 -0.181692D+02  0.749892D+01  0.136233D+02  0.585658D+01
      6  -0.118813D+02  0.961146D+01 -0.490919D+01 -0.736806D+01 -0.507468D+01
               131           132           133           134           135 
      1   0.129851D+01  0.352891D+00 -0.121721D+02  0.105265D+01  0.371459D+01
      2   0.429679D+01  0.211559D+01  0.721050D+01  0.134698D+01 -0.441755D+01
      3  -0.559530D+01 -0.246848D+01  0.496162D+01 -0.239963D+01  0.702960D+00
      4  -0.141944D+02 -0.775937D+01  0.153600D+02 -0.121913D+02 -0.149673D+02
      5  -0.706065D+01 -0.684273D+01  0.199961D+02 -0.125639D+02 -0.159335D+02
      6   0.611058D+01  0.770048D+01 -0.122415D+02  0.115451D+02  0.966795D+01
               136           137           138           139           140 
      1   0.643650D+01 -0.519963D+01  0.303003D+01 -0.698121D+00 -0.586450D+01
      2  -0.231946D+01  0.954258D+00 -0.198783D+01 -0.366964D+01  0.110592D+02
      3  -0.411704D+01  0.424538D+01 -0.104220D+01  0.436776D+01 -0.519469D+01
      4  -0.144236D+02  0.140677D+02 -0.615936D+01  0.153804D+02 -0.180848D+02
      5   0.793325D+01 -0.534215D+01  0.103725D+02 -0.589907D+01  0.108065D+02
      6  -0.632184D+01  0.492290D+01 -0.581419D+01  0.773327D+01 -0.146857D+02
               141           142           143           144           145 
      1   0.290707D+01  0.445156D+01  0.598766D+01 -0.260540D+01  0.626070D+00
      2  -0.469947D+01 -0.210095D+01 -0.739104D+01 -0.281948D+01 -0.365703D+01
      3   0.179240D+01 -0.235061D+01  0.140338D+01  0.542488D+01  0.303096D+01
      4   0.111072D+02 -0.163156D+02  0.218304D+02 -0.190113D+02  0.315928D+00
      5  -0.875936D+01  0.195793D+02 -0.175137D+02  0.218921D+02  0.109356D+01
      6   0.140600D+02 -0.164657D+02  0.229520D+02 -0.231898D+02  0.676667D+00
               146           147           148           149           150 
      1  -0.858986D+00 -0.640085D+00  0.385268D+00 -0.455300D+01 -0.952088D+00
      2   0.157380D+01 -0.564846D+00  0.951852D+00  0.393068D+01  0.376438D+01
      3  -0.714811D+00  0.120493D+01 -0.133712D+01  0.622329D+00 -0.281229D+01
      4   0.275217D+01  0.158037D+01 -0.265566D+00  0.486114D+00 -0.325080D-01
      5  -0.430766D+00  0.602439D+01  0.562403D-02  0.262039D+00  0.167531D+00
      6   0.120465D+01  0.138523D+01  0.396218D+00  0.276397D+01  0.200823D+01
               151           152           153           154           155 
      1  -0.568584D+00 -0.773243D+01 -0.203590D+02 -0.128310D+01 -0.316724D+01
      2  -0.144978D+01  0.509176D+01 -0.883810D+01  0.642659D+01  0.473391D+01
      3   0.201836D+01  0.264067D+01  0.291971D+02 -0.514349D+01 -0.156666D+01
      4   0.377469D+01  0.247470D+00  0.264518D+01  0.138106D+00  0.111408D+02
      5   0.358608D+01 -0.546402D+00 -0.101621D+01  0.470003D+00  0.883572D+00
      6   0.120580D+01  0.911306D+01  0.240235D+02 -0.508072D+00  0.608665D+00
               156           157           158           159           160 
      1  -0.474250D+00 -0.161943D+01 -0.508507D+02 -0.299733D+01 -0.130900D+00
      2  -0.126402D+00  0.140571D+01  0.840542D+02  0.342576D+01  0.375276D+00
      3   0.600652D+00  0.213716D+00 -0.332034D+02 -0.428429D+00 -0.244376D+00
      4  -0.148682D+00  0.746008D+01 -0.386926D+01 -0.259960D-01 -0.804962D+00
      5   0.163357D+01  0.175284D+00  0.967809D+00 -0.290080D+00  0.534745D+00
      6   0.831845D+00  0.412035D+00  0.761810D+01  0.798962D+01  0.583285D+00
               161           162           163           164           165 
      1   0.325908D+01 -0.635348D+01  0.218288D+02 -0.189798D+01 -0.724550D+01
      2  -0.608278D+01  0.604106D+01 -0.400027D+01  0.107921D+02  0.100577D+02
      3   0.282370D+01  0.312419D+00 -0.178286D+02 -0.889414D+01 -0.281216D+01
      4   0.131480D+01 -0.178343D+00 -0.517940D+01 -0.108423D+02  0.271377D+00
      5  -0.701557D+00  0.571502D-01 -0.523396D+01 -0.168915D+01 -0.161210D+02
      6   0.994957D+01  0.108982D+01  0.206665D+01 -0.120588D+02 -0.427296D+01
               166           167           168           169           170 
      1  -0.296559D+01 -0.510627D+00 -0.119310D+01 -0.748693D+01  0.735868D+00
      2   0.173621D+02 -0.800642D+01  0.174588D+02  0.112023D+02  0.128267D+02
      3  -0.143965D+02  0.851705D+01 -0.162657D+02 -0.371539D+01 -0.135626D+02
      4  -0.197943D+02  0.262799D+02 -0.149465D+02  0.495386D+00 -0.798140D+01
      5  -0.349062D+01 -0.218316D+02 -0.162549D+02 -0.244849D+02 -0.121216D+02
      6  -0.176428D+02  0.193550D+02 -0.108044D+02 -0.518955D+01 -0.693539D+01
               171           172           173           174           175 
      1  -0.112793D+02 -0.890312D+01 -0.114835D+02 -0.265129D+02 -0.183435D+02
      2   0.104559D+02 -0.116104D+00  0.108346D+02  0.122567D+02  0.185142D+02
      3   0.823394D+00  0.901922D+01  0.648950D+00  0.142562D+02 -0.170707D+00
      4  -0.940871D+01 -0.100921D+02 -0.299061D+02 -0.756325D+01 -0.507645D+02
      5  -0.981175D+01 -0.291167D+02 -0.773264D+01 -0.100070D+02 -0.128502D+02
      6  -0.142848D+02 -0.356246D+00  0.248134D+01 -0.478279D+00  0.363633D+01
               176           177           178           179           180 
      1  -0.288535D+02 -0.112503D+02 -0.344738D+02 -0.115851D+02 -0.930745D+01
      2   0.458801D+01  0.296813D+01  0.127513D+02  0.214473D+01  0.147927D+02
      3   0.242655D+02  0.828219D+01  0.217225D+02  0.944039D+01 -0.548521D+01
      4   0.391554D+02 -0.261069D+01 -0.130153D+02 -0.468183D+01 -0.196767D+02
      5  -0.879199D+00 -0.191905D+02 -0.181230D+02 -0.191605D+02  0.310925D+02
      6  -0.472322D+01 -0.161149D+01 -0.164716D+01  0.172207D+01  0.133757D+01
               181           182           183           184           185 
      1  -0.138344D+02 -0.249042D+01  0.119106D+02 -0.355618D+00 -0.341148D+01
      2   0.430547D+01  0.471761D-01  0.972452D+00 -0.146180D+01  0.307229D+01
      3   0.952894D+01  0.244324D+01 -0.128831D+02  0.181741D+01  0.339187D+00
      4   0.829300D+01  0.110761D+01 -0.729918D+00  0.422799D+01 -0.158876D+01
      5  -0.120544D+02  0.206205D+00  0.242349D+01 -0.243211D+00  0.877075D+00
      6  -0.161376D+01 -0.395053D+01  0.564123D+01 -0.803247D+00 -0.302079D+01
               186           187           188           189           190 
      1   0.186848D+01  0.771292D+01  0.149804D+01 -0.632618D+01  0.752561D+01
      2  -0.256689D+01  0.377502D+00 -0.117219D+01 -0.343273D+01 -0.126980D+02
      3   0.698413D+00 -0.809042D+01 -0.325849D+00  0.975891D+01  0.517236D+01
      4   0.100426D+01 -0.856497D+00 -0.713513D+00  0.279295D+01  0.435003D+01
      5   0.240635D+01  0.730529D+01  0.167863D+01 -0.313126D+01  0.206797D+02
      6   0.389918D+01  0.334945D+01  0.310853D+01 -0.148643D+01  0.355231D+01
               191           192           193           194           195 
      1   0.335240D+01  0.332642D+01  0.498374D+01 -0.374966D+00 -0.298187D+01
      2  -0.581671D+01 -0.133752D+02 -0.100214D+02 -0.294029D+01 -0.123732D+02
      3   0.246431D+01  0.100487D+02  0.503767D+01  0.331525D+01  0.153551D+02
      4   0.677807D+01  0.287214D+01  0.879025D+01  0.519690D+01  0.846188D+01
      5   0.593492D+01  0.230057D+02  0.142396D+02  0.115195D+02  0.191781D+02
      6   0.623773D+01  0.331128D+01  0.813991D+01  0.734402D+01  0.107909D+02
               196           197           198           199           200 
      1   0.239189D+01 -0.154755D+01 -0.721863D+01  0.412454D+01 -0.341725D+01
      2  -0.129580D+02 -0.669004D+01 -0.214356D+02 -0.985860D-01 -0.325059D+01
      3   0.105661D+02  0.823759D+01  0.286542D+02 -0.402595D+01  0.666784D+01
      4   0.285235D+01  0.560757D+01  0.597105D+01 -0.124692D+02  0.160990D+02
      5   0.211315D+02  0.844608D+01  0.292011D+02  0.891161D+01 -0.785537D+01
      6   0.422401D+01  0.794473D+01  0.818891D+01 -0.701148D+01  0.975160D+01
               201           202           203           204           205 
      1   0.200311D+00 -0.177354D+01 -0.118205D+02  0.747589D+01 -0.103863D+01
      2  -0.191321D+01 -0.658646D+01  0.245275D+02 -0.572721D+01 -0.176917D+01
      3   0.171290D+01  0.835999D+01 -0.127070D+02 -0.174867D+01  0.280780D+01
      4  -0.550125D+01  0.200003D+02 -0.338163D+02  0.122923D+02 -0.134001D+01
      5   0.954337D+01 -0.980463D+01  0.160494D+02 -0.954132D+01  0.621272D+01
      6  -0.445647D+01  0.129403D+02 -0.299551D+02  0.172148D+02 -0.336934D+01
               206           207           208           209           210 
      1   0.404985D+01 -0.267069D+01  0.511431D+01  0.347857D+01 -0.559260D+01
      2  -0.855812D+00  0.294559D-01 -0.506180D+01 -0.239192D+01  0.452702D+01
      3  -0.319404D+01  0.264123D+01 -0.525128D-01 -0.108665D+01  0.106558D+01
      4   0.365192D+01 -0.441998D+01  0.343066D+01  0.412046D+01 -0.101459D+01
      5  -0.450491D+01  0.576591D+01 -0.659066D+01 -0.158272D+01  0.109056D+02
      6   0.103161D+02 -0.581358D+01 -0.814798D+00 -0.441182D+00  0.241001D+00
               211           212           213           214           215 
      1   0.766371D+01  0.241799D+01  0.558774D+00 -0.131636D+02  0.136527D+01
      2  -0.555879D+01 -0.128595D+01  0.284953D+01  0.124480D+02  0.238196D+01
      3  -0.210492D+01 -0.113204D+01 -0.340830D+01  0.715613D+00 -0.374723D+01
      4   0.895397D+01  0.224589D+01 -0.716150D+01 -0.144023D+01 -0.894382D+01
      5  -0.462630D+01 -0.690062D+01  0.133763D+02  0.240280D+02  0.101772D+02
      6  -0.201921D+01 -0.216720D+01  0.503911D+01  0.639295D+00  0.469625D+01
               216           217           218           219           220 
      1   0.184023D+01  0.240270D+02 -0.133781D+02  0.115576D+01 -0.265579D+02
      2  -0.190970D+02 -0.727255D+01  0.303852D+01 -0.495135D+00  0.331309D+01
      3   0.172568D+02 -0.167544D+02  0.103396D+02 -0.660626D+00  0.232448D+02
      4   0.103315D+02 -0.193331D+02  0.227749D+02  0.156003D+01  0.434415D+02
      5  -0.480666D+02 -0.765074D+00  0.253778D+01  0.503585D+01  0.690328D+01
      6  -0.162282D+01  0.194916D+01 -0.216582D+01 -0.775422D+00 -0.452018D+01
               221           222           223           224           225 
      1   0.144815D+02  0.246221D+01  0.567899D+01  0.587324D+00  0.330437D+01
      2   0.107220D+02 -0.178423D+01 -0.167722D+01 -0.820980D+00 -0.147098D+01
      3  -0.252035D+02 -0.677981D+00 -0.400176D+01  0.233656D+00 -0.183339D+01
      4  -0.567985D+02 -0.182600D+01  0.168884D+00  0.137059D+01 -0.464704D+01
      5  -0.312763D+01 -0.845898D+01  0.939699D+01 -0.513097D+01 -0.273242D+01
      6   0.701391D+01  0.599771D+01 -0.309934D+01  0.536713D+01  0.158899D+00
               226           227           228           229           230 
      1   0.603433D+02  0.161526D+02  0.164666D+02  0.343039D+02  0.160146D+02
      2  -0.293740D+02 -0.789301D+01 -0.796493D+01 -0.162786D+02 -0.384572D+01
      3  -0.309694D+02 -0.825963D+01 -0.850163D+01 -0.180253D+02 -0.121689D+02
      4   0.188803D+02  0.164104D+02  0.680356D+01  0.281329D+02  0.137808D+02
      5   0.171430D+02  0.617747D+01  0.140277D+02  0.100306D+02  0.723010D+01
      6   0.912293D+00 -0.329085D+00 -0.118925D+00  0.894903D+00  0.177381D+01
               231           232           233           234 
      1   0.793444D+01  0.370246D+02  0.810744D+01  0.134505D+02
      2  -0.304040D+01 -0.186960D+02 -0.354740D+01 -0.100980D+02
      3  -0.489405D+01 -0.183286D+02 -0.456003D+01 -0.335249D+01
      4   0.835596D+01  0.123729D+02  0.112110D+02  0.934544D+01
      5   0.120208D+02  0.219384D+02  0.903246D+01  0.144968D+02
      6   0.239310D+01  0.192912D+01  0.157604D+01  0.178348D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:41:10 2021, MaxMem= 10737418240 cpu:           27859.3 elap:            1743.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19058 -10.18266 -10.17848 -10.17827 -10.17772
 Alpha  occ. eigenvalues --  -10.17725 -10.17646 -10.17158 -10.16841 -10.16820
 Alpha  occ. eigenvalues --   -0.88189  -0.81085  -0.75128  -0.72968  -0.69367
 Alpha  occ. eigenvalues --   -0.68373  -0.63252  -0.58200  -0.53099  -0.49933
 Alpha  occ. eigenvalues --   -0.48025  -0.46288  -0.44978  -0.43162  -0.42475
 Alpha  occ. eigenvalues --   -0.40655  -0.40140  -0.39492  -0.38577  -0.38185
 Alpha  occ. eigenvalues --   -0.36651  -0.36027  -0.34421  -0.32975  -0.31834
 Alpha  occ. eigenvalues --   -0.28374  -0.26453  -0.22420
 Alpha virt. eigenvalues --   -0.01176  -0.00113   0.00221   0.00743   0.01275
 Alpha virt. eigenvalues --    0.01913   0.02327   0.02793   0.02918   0.03381
 Alpha virt. eigenvalues --    0.04401   0.05000   0.05037   0.05304   0.06116
 Alpha virt. eigenvalues --    0.06552   0.07309   0.07977   0.08285   0.08540
 Alpha virt. eigenvalues --    0.08949   0.09312   0.09468   0.09885   0.09923
 Alpha virt. eigenvalues --    0.10370   0.10433   0.10694   0.10994   0.11721
 Alpha virt. eigenvalues --    0.11877   0.12440   0.12733   0.12928   0.13219
 Alpha virt. eigenvalues --    0.13579   0.14083   0.14580   0.14843   0.15199
 Alpha virt. eigenvalues --    0.15482   0.15577   0.15833   0.16255   0.16849
 Alpha virt. eigenvalues --    0.17334   0.17770   0.18281   0.18756   0.19618
 Alpha virt. eigenvalues --    0.19982   0.20184   0.20590   0.21405   0.21578
 Alpha virt. eigenvalues --    0.22171   0.22851   0.23169   0.23488   0.23931
 Alpha virt. eigenvalues --    0.24203   0.24785   0.25180   0.25499   0.26423
 Alpha virt. eigenvalues --    0.26797   0.27712   0.28235   0.28280   0.29715
 Alpha virt. eigenvalues --    0.29790   0.30348   0.31304   0.31729   0.32336
 Alpha virt. eigenvalues --    0.32970   0.33103   0.34197   0.34504   0.34880
 Alpha virt. eigenvalues --    0.35558   0.35993   0.36368   0.36584   0.36912
 Alpha virt. eigenvalues --    0.37488   0.37875   0.38394   0.38700   0.39429
 Alpha virt. eigenvalues --    0.39598   0.39849   0.40494   0.41136   0.41496
 Alpha virt. eigenvalues --    0.42037   0.42403   0.43041   0.43820   0.44585
 Alpha virt. eigenvalues --    0.44730   0.44977   0.45439   0.45865   0.46579
 Alpha virt. eigenvalues --    0.47439   0.48076   0.48415   0.49167   0.49832
 Alpha virt. eigenvalues --    0.50517   0.50750   0.51251   0.51461   0.52403
 Alpha virt. eigenvalues --    0.52931   0.53126   0.53648   0.54633   0.55215
 Alpha virt. eigenvalues --    0.55612   0.56941   0.57236   0.57766   0.57960
 Alpha virt. eigenvalues --    0.58720   0.59104   0.60698   0.60984   0.61399
 Alpha virt. eigenvalues --    0.61837   0.62274   0.62439   0.63113   0.63278
 Alpha virt. eigenvalues --    0.63921   0.64283   0.65096   0.66146   0.66754
 Alpha virt. eigenvalues --    0.67122   0.67240   0.67741   0.68164   0.68708
 Alpha virt. eigenvalues --    0.69671   0.70269   0.70584   0.70773   0.71441
 Alpha virt. eigenvalues --    0.71870   0.72872   0.73225   0.74347   0.74461
 Alpha virt. eigenvalues --    0.75299   0.76251   0.76566   0.77126   0.77831
 Alpha virt. eigenvalues --    0.78875   0.79215   0.79895   0.80473   0.81133
 Alpha virt. eigenvalues --    0.82336   0.82351   0.83423   0.85545   0.85683
 Alpha virt. eigenvalues --    0.86316   0.88452   0.88856   0.89633   0.91006
 Alpha virt. eigenvalues --    0.91862   0.92910   0.94214   0.95522   0.95944
 Alpha virt. eigenvalues --    0.96953   0.98054   0.98871   0.99710   1.00327
 Alpha virt. eigenvalues --    1.00501   1.01871   1.03937   1.04625   1.05087
 Alpha virt. eigenvalues --    1.07110   1.07580   1.09994   1.11593   1.13309
 Alpha virt. eigenvalues --    1.14679   1.16859   1.17652   1.19558   1.21296
 Alpha virt. eigenvalues --    1.21777   1.23552   1.24986   1.26035   1.27669
 Alpha virt. eigenvalues --    1.29972   1.32238   1.33641   1.34861   1.35952
 Alpha virt. eigenvalues --    1.40298   1.42664   1.43056   1.43739   1.44611
 Alpha virt. eigenvalues --    1.46675   1.46990   1.48870   1.49149   1.49497
 Alpha virt. eigenvalues --    1.50206   1.51831   1.52463   1.55136   1.56102
 Alpha virt. eigenvalues --    1.57156   1.58039   1.58608   1.59950   1.60983
 Alpha virt. eigenvalues --    1.61332   1.62294   1.63880   1.64022   1.65151
 Alpha virt. eigenvalues --    1.66496   1.68014   1.68374   1.69388   1.69954
 Alpha virt. eigenvalues --    1.72413   1.73794   1.74759   1.75695   1.77980
 Alpha virt. eigenvalues --    1.78784   1.80464   1.81300   1.81657   1.82660
 Alpha virt. eigenvalues --    1.84243   1.85526   1.87859   1.88247   1.89181
 Alpha virt. eigenvalues --    1.89561   1.91717   1.92674   1.93649   1.94413
 Alpha virt. eigenvalues --    1.96924   1.97456   1.99145   1.99388   2.01052
 Alpha virt. eigenvalues --    2.01579   2.02142   2.03869   2.04542   2.06058
 Alpha virt. eigenvalues --    2.06634   2.08244   2.09546   2.10909   2.11815
 Alpha virt. eigenvalues --    2.13377   2.15107   2.15854   2.17318   2.18190
 Alpha virt. eigenvalues --    2.19489   2.20275   2.21705   2.23731   2.25477
 Alpha virt. eigenvalues --    2.27424   2.27741   2.29330   2.30375   2.31068
 Alpha virt. eigenvalues --    2.31917   2.33579   2.34656   2.35505   2.37027
 Alpha virt. eigenvalues --    2.38321   2.41084   2.43340   2.43647   2.45020
 Alpha virt. eigenvalues --    2.45130   2.47551   2.51483   2.52299   2.54106
 Alpha virt. eigenvalues --    2.56114   2.57914   2.58307   2.60135   2.60680
 Alpha virt. eigenvalues --    2.62614   2.63705   2.66475   2.67017   2.68648
 Alpha virt. eigenvalues --    2.70246   2.72032   2.75238   2.76726   2.78281
 Alpha virt. eigenvalues --    2.80511   2.82654   2.84406   2.86853   2.89114
 Alpha virt. eigenvalues --    2.94090   2.98993   2.99697   3.07636   3.08940
 Alpha virt. eigenvalues --    3.14410   3.22008   3.60293   3.65123   4.04944
 Alpha virt. eigenvalues --    4.38833
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   16.635838  -1.008892  -2.199964  -1.740585  -1.150593  -1.335575
     2  C   -1.008892  13.032769  -0.669678  -0.035227   0.061690  -0.060818
     3  C   -2.199964  -0.669678  19.456796  -5.620442  -0.478696  -2.084870
     4  C   -1.740585  -0.035227  -5.620442  13.315955  -1.079523  -0.666633
     5  C   -1.150593   0.061690  -0.478696  -1.079523   7.733364  -0.436404
     6  C   -1.335575  -0.060818  -2.084870  -0.666633  -0.436404  10.493524
     7  C    0.149220  -1.682716  -0.473716  -0.180715   0.090089  -0.083996
     8  C   -1.197117  -1.703462  -0.515167   0.136199   0.182544   0.016010
     9  H   -2.982737   0.744302   0.898673   0.269924   0.111632   0.073464
    10  H    0.719893  -2.494273   0.231341   0.121991   0.005221  -0.124810
    11  H    0.266959  -0.145647  -3.180264   1.034833  -0.013453   0.295998
    12  H    0.024199   0.005613  -0.224930   0.985846  -0.858327   0.069113
    13  H   -0.068151  -0.004940   0.011694  -0.321179   0.564585   0.114781
    14  H   -0.007025   0.028520   0.134456  -0.001791   0.497519  -0.301489
    15  H    0.058703   0.144766   0.230021   0.521359  -0.210744  -1.127881
    16  H   -0.101468  -0.193766  -0.046680  -0.022489   0.197242  -0.069468
    17  H   -0.111189  -0.308392  -0.075064   0.123632   0.061249  -0.190666
    18  H   -0.036626   0.790888   0.056892  -0.046083  -0.021042   0.284680
    19  C   -0.435445  -0.904097  -0.409097  -0.101386  -0.188796  -0.038242
    20  C   -0.116168  -0.282425  -0.412655   0.141652   0.000371   0.131909
    21  H   -0.214414  -0.152517   0.081775   0.022586  -0.081805  -0.084204
    22  H    0.292003  -0.376021  -0.070363  -0.000507  -0.005212  -0.007406
    23  H   -0.394706   0.326096   0.106986   0.138606   0.017801   0.050135
    24  H   -0.168161  -0.126313  -0.077282  -0.005130  -0.001975  -0.001315
    25  H   -0.082130   0.017287   0.098216   0.027124   0.005209   0.003387
    26  H    0.036689  -0.089500  -0.017864  -0.009209  -0.000879   0.012079
               7          8          9         10         11         12
     1  C    0.149220  -1.197117  -2.982737   0.719893   0.266959   0.024199
     2  C   -1.682716  -1.703462   0.744302  -2.494273  -0.145647   0.005613
     3  C   -0.473716  -0.515167   0.898673   0.231341  -3.180264  -0.224930
     4  C   -0.180715   0.136199   0.269924   0.121991   1.034833   0.985846
     5  C    0.090089   0.182544   0.111632   0.005221  -0.013453  -0.858327
     6  C   -0.083996   0.016010   0.073464  -0.124810   0.295998   0.069113
     7  C    8.401515  -0.164618  -0.181934   0.245977   0.080166  -0.052127
     8  C   -0.164618  11.125632  -0.069106  -0.072801   0.022504  -0.019893
     9  H   -0.181934  -0.069106   3.564883  -0.218141  -0.175468   0.014194
    10  H    0.245977  -0.072801  -0.218141   3.826702   0.019829  -0.000871
    11  H    0.080166   0.022504  -0.175468   0.019829   3.772390  -0.146441
    12  H   -0.052127  -0.019893   0.014194  -0.000871  -0.146441   2.072806
    13  H    0.011281   0.023144   0.004109   0.001733   0.005633  -0.215049
    14  H    0.038088  -0.033380   0.004013   0.000013   0.008570  -0.271635
    15  H    0.064716  -0.070134   0.010507   0.029873  -0.022300   0.041537
    16  H    0.093787   0.043116   0.007628   0.012223   0.020099  -0.007963
    17  H    0.018454   0.001158  -0.007972   0.106436   0.025406  -0.023392
    18  H   -1.011591   0.003098   0.012493  -0.300026  -0.004730   0.001585
    19  C   -0.002066  -0.377089  -0.062639  -0.088933   0.093058   0.016477
    20  C   -0.169793  -1.438933  -0.101371  -0.048444   0.062103   0.002083
    21  H   -0.201597   0.032785   0.006528   0.022782  -0.032154   0.029763
    22  H    0.065709   0.108458  -0.007705   0.010189   0.008435  -0.000407
    23  H   -0.051600   0.414834   0.022405  -0.017521   0.014907   0.001627
    24  H    0.068969   0.961858  -0.071235  -0.082266   0.016364  -0.000438
    25  H   -0.016912  -0.120607  -0.008013   0.031116   0.004625   0.000451
    26  H    0.003520  -0.055298   0.028171  -0.012495  -0.003551   0.000157
              13         14         15         16         17         18
     1  C   -0.068151  -0.007025   0.058703  -0.101468  -0.111189  -0.036626
     2  C   -0.004940   0.028520   0.144766  -0.193766  -0.308392   0.790888
     3  C    0.011694   0.134456   0.230021  -0.046680  -0.075064   0.056892
     4  C   -0.321179  -0.001791   0.521359  -0.022489   0.123632  -0.046083
     5  C    0.564585   0.497519  -0.210744   0.197242   0.061249  -0.021042
     6  C    0.114781  -0.301489  -1.127881  -0.069468  -0.190666   0.284680
     7  C    0.011281   0.038088   0.064716   0.093787   0.018454  -1.011591
     8  C    0.023144  -0.033380  -0.070134   0.043116   0.001158   0.003098
     9  H    0.004109   0.004013   0.010507   0.007628  -0.007972   0.012493
    10  H    0.001733   0.000013   0.029873   0.012223   0.106436  -0.300026
    11  H    0.005633   0.008570  -0.022300   0.020099   0.025406  -0.004730
    12  H   -0.215049  -0.271635   0.041537  -0.007963  -0.023392   0.001585
    13  H    1.336976  -0.265373  -0.007877  -0.016269   0.012885  -0.001681
    14  H   -0.265373   1.321426  -0.034262   0.022103   0.018530  -0.002400
    15  H   -0.007877  -0.034262   2.447923  -0.442484  -0.219958   0.035275
    16  H   -0.016269   0.022103  -0.442484   1.895836   0.190677  -0.235106
    17  H    0.012885   0.018530  -0.219958   0.190677   2.616426  -0.627745
    18  H   -0.001681  -0.002400   0.035275  -0.235106  -0.627745   2.420923
    19  C   -0.020969   0.018106   0.016514  -0.025096  -0.125595   0.045353
    20  C    0.003075  -0.006737  -0.006489   0.018802   0.020316   0.027725
    21  H   -0.012671  -0.016079   0.025202  -0.010149   0.037661   0.004372
    22  H   -0.000681   0.002076   0.003606  -0.005040  -0.037870   0.018545
    23  H   -0.000854   0.006228  -0.004435   0.005764   0.013275   0.000683
    24  H   -0.000105   0.000271  -0.003704   0.001624   0.001005   0.007597
    25  H    0.000329  -0.000309   0.000522   0.000409  -0.003793   0.000751
    26  H    0.000043  -0.000489   0.000178   0.001873   0.014102  -0.004288
              19         20         21         22         23         24
     1  C   -0.435445  -0.116168  -0.214414   0.292003  -0.394706  -0.168161
     2  C   -0.904097  -0.282425  -0.152517  -0.376021   0.326096  -0.126313
     3  C   -0.409097  -0.412655   0.081775  -0.070363   0.106986  -0.077282
     4  C   -0.101386   0.141652   0.022586  -0.000507   0.138606  -0.005130
     5  C   -0.188796   0.000371  -0.081805  -0.005212   0.017801  -0.001975
     6  C   -0.038242   0.131909  -0.084204  -0.007406   0.050135  -0.001315
     7  C   -0.002066  -0.169793  -0.201597   0.065709  -0.051600   0.068969
     8  C   -0.377089  -1.438933   0.032785   0.108458   0.414834   0.961858
     9  H   -0.062639  -0.101371   0.006528  -0.007705   0.022405  -0.071235
    10  H   -0.088933  -0.048444   0.022782   0.010189  -0.017521  -0.082266
    11  H    0.093058   0.062103  -0.032154   0.008435   0.014907   0.016364
    12  H    0.016477   0.002083   0.029763  -0.000407   0.001627  -0.000438
    13  H   -0.020969   0.003075  -0.012671  -0.000681  -0.000854  -0.000105
    14  H    0.018106  -0.006737  -0.016079   0.002076   0.006228   0.000271
    15  H    0.016514  -0.006489   0.025202   0.003606  -0.004435  -0.003704
    16  H   -0.025096   0.018802  -0.010149  -0.005040   0.005764   0.001624
    17  H   -0.125595   0.020316   0.037661  -0.037870   0.013275   0.001005
    18  H    0.045353   0.027725   0.004372   0.018545   0.000683   0.007597
    19  C    7.281439  -0.376659   0.423489   0.010005  -0.270473  -0.121962
    20  C   -0.376659   7.022991   0.071317   0.187483  -0.198428  -0.439744
    21  H    0.423489   0.071317   2.338455  -0.407711  -0.579754  -0.049452
    22  H    0.010005   0.187483  -0.407711   1.836715  -0.431776   0.020954
    23  H   -0.270473  -0.198428  -0.579754  -0.431776   2.241929   0.017472
    24  H   -0.121962  -0.439744  -0.049452   0.020954   0.017472   2.342653
    25  H    0.023940   0.274349   0.033176   0.018861  -0.048148  -0.435189
    26  H    0.145265   0.230644   0.020939  -0.041980   0.018349  -0.418753
              25         26
     1  C   -0.082130   0.036689
     2  C    0.017287  -0.089500
     3  C    0.098216  -0.017864
     4  C    0.027124  -0.009209
     5  C    0.005209  -0.000879
     6  C    0.003387   0.012079
     7  C   -0.016912   0.003520
     8  C   -0.120607  -0.055298
     9  H   -0.008013   0.028171
    10  H    0.031116  -0.012495
    11  H    0.004625  -0.003551
    12  H    0.000451   0.000157
    13  H    0.000329   0.000043
    14  H   -0.000309  -0.000489
    15  H    0.000522   0.000178
    16  H    0.000409   0.001873
    17  H   -0.003793   0.014102
    18  H    0.000751  -0.004288
    19  C    0.023940   0.145265
    20  C    0.274349   0.230644
    21  H    0.033176   0.020939
    22  H    0.018861  -0.041980
    23  H   -0.048148   0.018349
    24  H   -0.435189  -0.418753
    25  H    1.765639  -0.363779
    26  H   -0.363779   1.733344
 Mulliken charges:
               1
     1  C    1.167442
     2  C    1.086751
     3  C    1.249883
     4  C   -1.008808
     5  C    0.998933
     6  C    1.068696
     7  C    0.941887
     8  C   -1.233735
     9  H   -0.886606
    10  H   -0.924738
    11  H   -1.027868
    12  H   -0.443977
    13  H   -0.154469
    14  H   -0.158950
    15  H   -0.480435
    16  H   -0.335203
    17  H   -0.529575
    18  H   -0.419542
    19  C    1.474899
    20  C    1.403025
    21  H   -0.308324
    22  H   -0.190360
    23  H   -0.399401
    24  H   -0.435744
    25  H   -0.226508
    26  H   -0.227269
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.280836
     2  C    0.162013
     3  C    0.222014
     4  C   -1.008808
     5  C    0.241536
     6  C    0.253057
     7  C   -0.007230
     8  C   -1.233735
    19  C    0.576813
    20  C    0.513503
 Electronic spatial extent (au):  <R**2>=           1606.7373
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1427    Y=              0.3114    Z=              0.0783  Tot=              0.3513
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.6573   YY=            -63.5147   ZZ=            -64.7676
   XY=             -0.2919   XZ=             -0.9783   YZ=             -0.0084
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3226   YY=              0.4652   ZZ=             -0.7878
   XY=             -0.2919   XZ=             -0.9783   YZ=             -0.0084
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.0332  YYY=             -0.7420  ZZZ=             -0.3837  XYY=             -0.2755
  XXY=              1.0227  XXZ=              0.7882  XZZ=              1.3896  YZZ=              2.0491
  YYZ=             -1.7494  XYZ=             -0.1084
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1528.0161 YYYY=           -456.2802 ZZZZ=           -317.5518 XXXY=             -0.7576
 XXXZ=              4.6240 YYYX=              1.8648 YYYZ=             -1.1912 ZZZX=             -8.7766
 ZZZY=              1.3656 XXYY=           -329.1265 XXZZ=           -302.1550 YYZZ=           -132.4030
 XXYZ=             -0.4375 YYXZ=              0.8180 ZZXY=             -0.4549
 N-N= 5.487886299702D+02 E-N=-2.001692999523D+03  KE= 3.882991265318D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:41:11 2021, MaxMem= 10737418240 cpu:               8.8 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.60238550D-02 1.20008282D-01 3.16407782D-02
 Polarizability= 1.39876976D+02-4.60708650D+00 1.07771866D+02
                -2.74844967D+00 1.31010471D+00 9.63720762D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.5084    1.5089       -2.5989   -2.5980
 2     -1.5084   -1.5089       -0.6545   -0.6555      -18.1143  -18.1040
 3      2.5989    2.5980       24.0911   24.0835        0.6554    0.6555
 4      0.6545    0.6555        0.0000    0.0000        2.6012    2.5980
 5     -5.9768   -5.9796       -2.6012   -2.5980        1.5087    1.5089
 6     -0.6554   -0.6555       -1.5087   -1.5089       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.5267   -4.5267       -7.7941   -7.7941
 2      1.9665    1.9665       -0.0000    0.0000       -7.7941   -7.7941
 3      1.9665    1.9665       -4.5267   -4.5267        0.0000    0.0000
 4     -4.5267   -4.5267       -1.9665   -1.9665      -54.3119  -54.3119
 5      7.7941    7.7941       72.2506   72.2506        1.9665    1.9665
 6    -17.9387  -17.9387       -7.7941   -7.7941        4.5267    4.5267
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0822    0.0000       -5.9993   -6.0355       10.4585   10.3922
 2      6.0433    6.0355        2.6292    2.6220       72.3725   72.4158
 3    -10.4845  -10.3922      -96.1340  -96.3341       -2.6911   -2.6220
 4     -2.6172   -2.6220        0.0721    0.0000      -10.3464  -10.3922
 5     23.9768   23.9183       10.4220   10.3922       -5.9771   -6.0355
 6      2.5870    2.6220        6.2272    6.0355       -0.0519    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1183    0.0000      -18.5818  -18.6614      -29.9354  -29.9970
 2     18.6284   18.6614       19.9845   19.7442       -0.5922   -0.2933
 3     30.0990   29.9970       28.1378   27.8888      -19.5485  -19.7442
 4    -19.7496  -19.7442       -0.0854    0.0000       29.9007   29.9970
 5    -27.5955  -27.5955      -30.0112  -29.9970      -18.6425  -18.6614
 6     19.7373   19.7442       18.7755   18.6614       -0.0124    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -31.5713  -31.8542       28.8886   28.9270       21.3112   21.3459
 2    -55.5630  -55.7268       15.2775   15.3455       21.3964   21.3459
 3    -55.5244  -55.7268       28.7344   28.9270       29.0106   28.9079
 4     13.3232   13.5815       23.8679   23.8726       19.9079   20.1737
 5      7.7197    7.5620       36.9284   36.8804      -23.8569  -23.8726
 6    -56.8020  -57.0541       -7.5388   -7.5620      -13.3176  -13.5815
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0004    0.0005    4.8777    5.4116   13.4147
 Low frequencies ---   93.3402  116.1376  190.9249
 Diagonal vibrational polarizability:
        2.1315926       1.4869538       3.6037951
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3381               116.1348               190.9233
 Red. masses --      2.7957                 2.2039                 1.2096
 Frc consts  --      0.0143                 0.0175                 0.0260
 IR Inten    --      0.2720                 0.1556                 0.2871
 RamAct Fr= 1--      1.4679                 1.1602                 0.6174
  Dep-P Fr= 1--      0.6701                 0.5999                 0.6658
  Dep-U Fr= 1--      0.8024                 0.7499                 0.7994
 Alpha2 Fr= 1--      0.0021                 0.0032                 0.0009
 Beta2  Fr= 1--      0.1963                 0.1450                 0.0823
 AlphaG Fr= 1--     -0.0057                -0.0078                -0.0194
 Gamma2 Fr= 1--      0.1586                 0.0875                -0.2043
 Delta2 Fr= 1--     -0.0424                 0.2235                 0.1156
 Raman1 Fr= 1--       5.872                  4.641                  2.470
 ROA1   Fr= 1--      13.867                 15.550                -15.913
 CID1   Fr= 1--       2.362                  3.351                 -6.443
 Raman2 Fr= 1--       2.356                  1.740                  0.987
 ROA2   Fr= 1--       4.146                  0.311                 -5.828
 CID2   Fr= 1--       1.760                  0.179                 -5.904
 Raman3 Fr= 1--       4.712                  3.480                  1.974
 ROA3   Fr= 1--      13.867                 15.550                -15.913
 CID3   Fr= 1--       2.943                  4.468                 -8.061
 RC180  Fr= 1--       0.605                  0.500                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.10    -0.00  -0.04   0.01    -0.00  -0.02  -0.02
     2   6    -0.03  -0.03   0.06     0.01  -0.02  -0.06    -0.01  -0.02  -0.00
     3   6    -0.02  -0.04   0.13    -0.02  -0.01  -0.01    -0.02  -0.01  -0.05
     4   6    -0.05   0.01  -0.02    -0.00  -0.02   0.04    -0.01   0.01  -0.04
     5   6    -0.11   0.07  -0.15    -0.06  -0.01  -0.16     0.00   0.03   0.04
     6   6    -0.01   0.01  -0.08     0.01  -0.04   0.21     0.02   0.00  -0.02
     7   6    -0.03  -0.07   0.08     0.06   0.02  -0.03     0.01  -0.06   0.05
     8   6     0.05   0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     9   1    -0.07  -0.06   0.08     0.01  -0.09   0.03     0.01  -0.00  -0.02
    10   1    -0.10  -0.02   0.01    -0.01  -0.05  -0.10    -0.02   0.00   0.01
    11   1    -0.03  -0.04   0.19    -0.07   0.01  -0.15    -0.03  -0.00  -0.05
    12   1    -0.11   0.06  -0.05    -0.09   0.02  -0.33    -0.09   0.06  -0.13
    13   1    -0.00   0.03  -0.32     0.02   0.12  -0.16    -0.06   0.17   0.23
    14   1    -0.27   0.19  -0.21    -0.15  -0.16  -0.15     0.16  -0.12   0.11
    15   1    -0.08   0.08  -0.18     0.14  -0.16   0.40    -0.01   0.02  -0.06
    16   1     0.14  -0.00  -0.13    -0.24   0.06   0.33     0.08   0.02  -0.04
    17   1    -0.12  -0.21   0.07     0.20   0.15  -0.02    -0.02  -0.17   0.03
    18   1     0.02  -0.06   0.21     0.00   0.01  -0.15     0.04  -0.05   0.15
    19   6     0.20   0.01   0.04     0.01   0.13   0.03    -0.00   0.06   0.02
    20   6     0.01   0.06  -0.12    -0.00  -0.05  -0.02     0.00   0.00   0.00
    21   1     0.23  -0.04   0.13     0.01   0.10   0.02    -0.04  -0.36  -0.14
    22   1     0.23   0.05  -0.02    -0.04   0.23  -0.02    -0.40   0.37   0.03
    23   1     0.27   0.04   0.01     0.07   0.17   0.14     0.43   0.25   0.19
    24   1    -0.11   0.04  -0.14    -0.01  -0.13  -0.04     0.02   0.05   0.02
    25   1     0.06   0.07  -0.14    -0.02  -0.05   0.06    -0.00  -0.00  -0.04
    26   1     0.04   0.10  -0.20     0.02  -0.01  -0.07    -0.00  -0.03   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    194.0390               207.9145               236.5019
 Red. masses --      1.7124                 1.1234                 1.2825
 Frc consts  --      0.0380                 0.0286                 0.0423
 IR Inten    --      0.2112                 0.2213                 0.2190
 RamAct Fr= 1--      0.2483                 0.1826                 0.2182
  Dep-P Fr= 1--      0.6593                 0.7061                 0.6813
  Dep-U Fr= 1--      0.7946                 0.8277                 0.8105
 Alpha2 Fr= 1--      0.0004                 0.0001                 0.0003
 Beta2  Fr= 1--      0.0329                 0.0252                 0.0295
 AlphaG Fr= 1--      0.0031                 0.0008                -0.0011
 Gamma2 Fr= 1--      0.4623                -0.0737                 0.1319
 Delta2 Fr= 1--     -0.0905                -0.0027                -0.0061
 Raman1 Fr= 1--       0.993                  0.730                  0.873
 ROA1   Fr= 1--      41.484                 -7.160                 12.464
 CID1   Fr= 1--      41.769                 -9.801                 14.279
 Raman2 Fr= 1--       0.395                  0.302                  0.354
 ROA2   Fr= 1--      11.819                 -1.746                  3.214
 CID2   Fr= 1--      29.951                 -5.776                  9.086
 Raman3 Fr= 1--       0.789                  0.605                  0.707
 ROA3   Fr= 1--      41.484                 -7.160                 12.464
 CID3   Fr= 1--      52.563                -11.841                 17.619
 RC180  Fr= 1--       0.589                  0.655                  0.621
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.01    -0.01  -0.01  -0.03     0.01  -0.03   0.01
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.02    -0.01  -0.02  -0.03
     3   6    -0.03  -0.03   0.00    -0.00  -0.00   0.01     0.00  -0.03   0.06
     4   6    -0.00   0.00   0.01     0.01   0.00   0.03     0.00  -0.01   0.03
     5   6    -0.03   0.07   0.02    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     6   6     0.02  -0.00   0.02     0.02   0.00   0.04    -0.00  -0.01   0.01
     7   6     0.03  -0.02  -0.03     0.03  -0.01   0.01     0.00   0.03  -0.06
     8   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.02     0.01   0.00  -0.00
     9   1    -0.02  -0.08  -0.02    -0.02  -0.01  -0.03    -0.02  -0.06   0.01
    10   1     0.00  -0.08  -0.04     0.00  -0.01  -0.02     0.00  -0.05  -0.04
    11   1    -0.07  -0.03  -0.01    -0.01  -0.00   0.01    -0.01  -0.03   0.07
    12   1    -0.16   0.10  -0.14     0.14  -0.06   0.45    -0.10   0.06  -0.11
    13   1    -0.03   0.24   0.14     0.09  -0.33  -0.38     0.00   0.15   0.03
    14   1     0.06  -0.05   0.06    -0.26   0.43  -0.15    -0.02  -0.04   0.01
    15   1     0.05  -0.01   0.06     0.04  -0.00   0.06     0.02  -0.01   0.04
    16   1    -0.02   0.01   0.04    -0.01   0.01   0.05    -0.07  -0.03   0.02
    17   1     0.06   0.01  -0.03     0.05  -0.01   0.00     0.03   0.11  -0.05
    18   1     0.05  -0.02  -0.07     0.03  -0.01   0.01    -0.01   0.02  -0.15
    19   6    -0.01  -0.08  -0.03    -0.04  -0.02  -0.03     0.00  -0.06  -0.02
    20   6     0.04   0.17   0.06     0.01   0.03   0.02     0.02   0.07   0.02
    21   1    -0.01  -0.06  -0.03    -0.07  -0.24  -0.14    -0.00  -0.13  -0.05
    22   1     0.01  -0.13   0.00    -0.26   0.11   0.02    -0.05  -0.06   0.02
    23   1    -0.05  -0.10  -0.08     0.16   0.07   0.03     0.06  -0.04  -0.06
    24   1    -0.02  -0.12  -0.04     0.03   0.03   0.02     0.12   0.57   0.20
    25   1     0.34   0.28   0.40     0.06   0.05   0.04    -0.09   0.02  -0.46
    26   1    -0.16   0.55  -0.10    -0.03   0.07   0.04     0.05  -0.30   0.36
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.5026               311.4303               339.2352
 Red. masses --      1.7798                 2.6119                 2.5399
 Frc consts  --      0.0837                 0.1493                 0.1722
 IR Inten    --      1.0083                 1.2944                 0.1091
 RamAct Fr= 1--      0.5679                 1.9997                 2.2953
  Dep-P Fr= 1--      0.7489                 0.1273                 0.4171
  Dep-U Fr= 1--      0.8564                 0.2259                 0.5887
 Alpha2 Fr= 1--      0.0000                 0.0327                 0.0160
 Beta2  Fr= 1--      0.0811                 0.0753                 0.2252
 AlphaG Fr= 1--      0.0007                 0.0764                -0.0037
 Gamma2 Fr= 1--      0.4253                 0.5332                 0.7107
 Delta2 Fr= 1--      0.3867                 0.0435                -0.0876
 Raman1 Fr= 1--       2.271                  7.999                  9.181
 ROA1   Fr= 1--      53.207                 52.582                 65.421
 CID1   Fr= 1--      23.424                  6.574                  7.126
 Raman2 Fr= 1--       0.973                  0.903                  2.703
 ROA2   Fr= 1--       7.115                 12.449                 17.757
 CID2   Fr= 1--       7.315                 13.781                  6.571
 Raman3 Fr= 1--       1.945                  1.807                  5.405
 ROA3   Fr= 1--      53.207                 52.582                 65.421
 CID3   Fr= 1--      27.351                 29.104                 12.104
 RC180  Fr= 1--       0.713                 -0.548                  0.177
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.04     0.01  -0.03   0.00    -0.03   0.03  -0.03
     2   6    -0.02  -0.03  -0.03     0.02  -0.05   0.03    -0.02   0.02  -0.08
     3   6    -0.04  -0.03  -0.11    -0.08   0.07  -0.16    -0.04   0.07   0.08
     4   6    -0.01  -0.02  -0.06    -0.06   0.06  -0.10    -0.09   0.06   0.01
     5   6    -0.02   0.06   0.05     0.01  -0.04   0.05    -0.04  -0.08  -0.00
     6   6     0.02  -0.03   0.02    -0.07   0.05   0.02    -0.08   0.06   0.00
     7   6     0.02  -0.11   0.07    -0.02   0.05  -0.10    -0.03  -0.03  -0.01
     8   6    -0.00  -0.00  -0.03    -0.02  -0.07   0.08     0.04   0.03  -0.09
     9   1     0.04  -0.01  -0.04     0.10  -0.05   0.04    -0.13   0.01  -0.06
    10   1    -0.07   0.00  -0.03     0.12  -0.08   0.08    -0.09   0.03  -0.13
    11   1    -0.06  -0.03  -0.15    -0.14   0.08  -0.23    -0.03   0.06   0.17
    12   1    -0.07   0.03   0.24     0.15  -0.07   0.22     0.08  -0.07  -0.09
    13   1    -0.02  -0.01  -0.00    -0.10  -0.25   0.05    -0.10  -0.13   0.04
    14   1     0.01   0.26   0.03     0.09   0.08   0.04    -0.05  -0.20   0.02
    15   1     0.02  -0.06   0.03     0.03  -0.04   0.16    -0.03   0.08   0.04
    16   1     0.05   0.03   0.04    -0.23   0.14   0.11    -0.09   0.10   0.02
    17   1     0.02  -0.25   0.04    -0.02   0.21  -0.07    -0.03  -0.18  -0.04
    18   1     0.05  -0.09   0.21    -0.01   0.03  -0.26     0.01  -0.02   0.14
    19   6     0.01   0.12   0.01     0.19  -0.07   0.11     0.10  -0.01  -0.10
    20   6     0.03   0.04   0.06    -0.03   0.02   0.02     0.14  -0.08   0.16
    21   1     0.05   0.47   0.17     0.23  -0.18   0.26     0.13  -0.09  -0.03
    22   1     0.32  -0.00  -0.11     0.20   0.02   0.02     0.11   0.00  -0.11
    23   1    -0.29  -0.00   0.03     0.34  -0.01   0.09     0.18   0.02  -0.17
    24   1     0.14   0.24   0.14    -0.08   0.09   0.04     0.44  -0.17   0.16
    25   1     0.00   0.02  -0.10     0.04   0.04  -0.05     0.05  -0.11   0.35
    26   1    -0.02  -0.10   0.24    -0.05   0.03   0.04     0.02  -0.10   0.31
                     10                     11                     12
                      A                      A                      A
 Frequencies --    352.8372               411.0305               444.4611
 Red. masses --      2.2999                 2.1524                 3.3233
 Frc consts  --      0.1687                 0.2142                 0.3868
 IR Inten    --      0.7453                 1.4835                 0.1243
 RamAct Fr= 1--      1.7453                 2.0043                 4.6332
  Dep-P Fr= 1--      0.3053                 0.7476                 0.2310
  Dep-U Fr= 1--      0.4678                 0.8556                 0.3754
 Alpha2 Fr= 1--      0.0176                 0.0001                 0.0579
 Beta2  Fr= 1--      0.1361                 0.2858                 0.2899
 AlphaG Fr= 1--     -0.0393                 0.0006                 0.1142
 Gamma2 Fr= 1--     -0.4571                 1.4361                 0.4377
 Delta2 Fr= 1--     -0.0763                 0.5437                 0.2712
 Raman1 Fr= 1--       6.981                  8.017                 18.533
 ROA1   Fr= 1--     -46.326                155.258                 50.698
 CID1   Fr= 1--      -6.636                 19.366                  2.736
 Raman2 Fr= 1--       1.633                  3.430                  3.478
 ROA2   Fr= 1--     -10.361                 30.116                  8.336
 CID2   Fr= 1--      -6.345                  8.781                  2.397
 Raman3 Fr= 1--       3.266                  6.859                  6.956
 ROA3   Fr= 1--     -46.326                155.258                 50.698
 CID3   Fr= 1--     -14.185                 22.634                  7.288
 RC180  Fr= 1--      -0.064                  0.711                 -0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.02    -0.09   0.05  -0.07     0.02   0.06   0.04
     2   6    -0.01   0.07   0.04     0.03   0.00   0.04     0.16  -0.00   0.11
     3   6     0.04  -0.06  -0.06    -0.06  -0.01  -0.06    -0.07   0.06  -0.02
     4   6     0.03  -0.12   0.01     0.01  -0.05   0.18    -0.16  -0.04  -0.02
     5   6    -0.08   0.14   0.04    -0.04  -0.06  -0.02    -0.19  -0.07   0.06
     6   6    -0.03  -0.13   0.00     0.10  -0.02  -0.04    -0.02  -0.04  -0.02
     7   6    -0.09   0.04  -0.03     0.06   0.06   0.02     0.03  -0.01  -0.03
     8   6     0.02   0.06  -0.00    -0.06  -0.07  -0.04     0.16  -0.06   0.00
     9   1     0.05   0.15  -0.03    -0.10   0.12  -0.09    -0.05   0.11   0.00
    10   1    -0.01   0.10   0.05     0.09  -0.01   0.08     0.17   0.01   0.13
    11   1     0.13  -0.06  -0.15    -0.07   0.01  -0.23    -0.01   0.06  -0.10
    12   1    -0.37   0.13   0.16    -0.01  -0.04  -0.15    -0.17  -0.08   0.11
    13   1     0.04   0.30  -0.01     0.06   0.00  -0.11    -0.25  -0.12   0.09
    14   1    -0.04   0.34   0.02    -0.23  -0.18  -0.04    -0.12  -0.04   0.07
    15   1    -0.05  -0.18   0.00    -0.04   0.24  -0.31     0.03   0.06  -0.02
    16   1    -0.10  -0.18  -0.00     0.36  -0.27  -0.24    -0.01  -0.04  -0.03
    17   1    -0.07   0.17  -0.00     0.06   0.20   0.05    -0.03   0.17   0.01
    18   1    -0.21   0.04  -0.15     0.02   0.05  -0.12    -0.04  -0.02  -0.18
    19   6     0.08  -0.03  -0.03     0.06   0.02   0.00    -0.09   0.04   0.00
    20   6     0.04  -0.08   0.04    -0.04   0.02   0.05     0.19   0.02  -0.09
    21   1     0.09  -0.17  -0.01     0.10   0.04   0.15    -0.17   0.19  -0.26
    22   1     0.02  -0.02   0.01     0.14   0.13  -0.15    -0.20   0.06   0.07
    23   1     0.21   0.01  -0.10     0.12   0.05   0.07    -0.25  -0.00   0.22
    24   1     0.12  -0.24  -0.00     0.04   0.07   0.08     0.08   0.09  -0.08
    25   1    -0.07  -0.11   0.21     0.05   0.05   0.05     0.29   0.05  -0.19
    26   1     0.07  -0.06  -0.01    -0.16   0.05   0.15     0.19   0.05  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.8321               522.6902               528.1664
 Red. masses --      2.6327                 3.3624                 2.5715
 Frc consts  --      0.3616                 0.5412                 0.4226
 IR Inten    --      0.5792                 1.4269                 1.4240
 RamAct Fr= 1--      2.8462                 3.3230                 2.0657
  Dep-P Fr= 1--      0.4985                 0.5260                 0.1941
  Dep-U Fr= 1--      0.6653                 0.6894                 0.3251
 Alpha2 Fr= 1--      0.0142                 0.0145                 0.0285
 Beta2  Fr= 1--      0.3156                 0.3818                 0.1119
 AlphaG Fr= 1--     -0.0220                -0.0075                 0.0324
 Gamma2 Fr= 1--     -0.0675                -0.9107                -0.0628
 Delta2 Fr= 1--     -0.0344                -0.3961                -0.2217
 Raman1 Fr= 1--      11.385                 13.292                  8.263
 ROA1   Fr= 1--      -7.579               -100.108                -13.123
 CID1   Fr= 1--      -0.666                 -7.531                 -1.588
 Raman2 Fr= 1--       3.787                  4.582                  1.343
 ROA2   Fr= 1--      -1.344                -18.689                  0.267
 CID2   Fr= 1--      -0.355                 -4.079                  0.198
 Raman3 Fr= 1--       7.575                  9.163                  2.686
 ROA3   Fr= 1--      -7.579               -100.108                -13.123
 CID3   Fr= 1--      -1.001                -10.925                 -4.885
 RC180  Fr= 1--       0.331                  0.379                 -0.350
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.06     0.10  -0.03  -0.07     0.01   0.13  -0.11
     2   6     0.06   0.07  -0.15    -0.01  -0.06  -0.03     0.13   0.05  -0.03
     3   6    -0.05   0.04  -0.06     0.02   0.14  -0.08     0.09   0.08   0.11
     4   6    -0.06  -0.03   0.06     0.08   0.05   0.26    -0.03  -0.02  -0.02
     5   6    -0.10  -0.05   0.03     0.05   0.05   0.00    -0.05   0.01   0.01
     6   6     0.07  -0.03  -0.02    -0.16   0.04  -0.01    -0.02  -0.05  -0.02
     7   6     0.10  -0.08  -0.05    -0.14  -0.12  -0.07     0.04  -0.11  -0.08
     8   6    -0.00   0.19   0.10     0.05  -0.04   0.03    -0.09  -0.11  -0.02
     9   1     0.18  -0.21   0.17     0.16  -0.12  -0.03    -0.04   0.03  -0.10
    10   1     0.04   0.06  -0.18     0.02   0.03   0.08     0.34   0.10   0.18
    11   1    -0.04   0.05  -0.23    -0.11   0.17  -0.27     0.31   0.03   0.37
    12   1    -0.08  -0.05   0.03     0.01   0.08  -0.14    -0.13   0.01  -0.01
    13   1    -0.10  -0.07   0.01     0.25   0.19  -0.16    -0.01   0.08   0.01
    14   1    -0.13  -0.07   0.03    -0.22  -0.04  -0.05    -0.04   0.03   0.00
    15   1     0.12   0.13  -0.05    -0.14   0.18  -0.05     0.14  -0.13   0.18
    16   1     0.13  -0.09  -0.07    -0.20  -0.21  -0.12    -0.21   0.07   0.10
    17   1     0.17  -0.32  -0.11    -0.23  -0.31  -0.09     0.01  -0.26  -0.11
    18   1     0.06  -0.05   0.20    -0.01  -0.11   0.13    -0.00  -0.09   0.10
    19   6     0.01  -0.05   0.04    -0.02  -0.01   0.06     0.01  -0.01   0.05
    20   6    -0.07   0.02   0.01     0.06  -0.01  -0.04    -0.11   0.02   0.02
    21   1     0.01  -0.22   0.03    -0.04   0.07  -0.01     0.05   0.03   0.21
    22   1    -0.02  -0.26   0.26    -0.03   0.00   0.06     0.10   0.11  -0.13
    23   1     0.05  -0.07  -0.29    -0.09  -0.03   0.14     0.06   0.03   0.15
    24   1    -0.13  -0.04  -0.01    -0.03   0.00  -0.04    -0.15   0.09   0.04
    25   1    -0.21  -0.03   0.01     0.09  -0.00  -0.09     0.03   0.07  -0.03
    26   1     0.09  -0.05  -0.09     0.11  -0.00  -0.09    -0.21   0.09   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    705.0335               737.0633               764.2289
 Red. masses --      3.2620                 3.0226                 2.2186
 Frc consts  --      0.9553                 0.9675                 0.7635
 IR Inten    --      0.6233                 1.6513                 2.6890
 RamAct Fr= 1--      8.1931                 8.5084                 6.7557
  Dep-P Fr= 1--      0.2975                 0.0216                 0.2944
  Dep-U Fr= 1--      0.4586                 0.0423                 0.4548
 Alpha2 Fr= 1--      0.0847                 0.1797                 0.0705
 Beta2  Fr= 1--      0.6262                 0.0600                 0.5121
 AlphaG Fr= 1--     -0.1645                -0.2775                 0.2697
 Gamma2 Fr= 1--     -0.0571                -1.2353                -4.0535
 Delta2 Fr= 1--      0.2928                -0.2866                -0.9587
 Raman1 Fr= 1--      32.772                 34.034                 27.023
 ROA1   Fr= 1--       3.891               -127.761               -419.816
 CID1   Fr= 1--       0.119                 -3.754                -15.536
 Raman2 Fr= 1--       7.514                  0.720                  6.145
 ROA2   Fr= 1--      -3.712                -27.354                -89.615
 CID2   Fr= 1--      -0.494                -37.980                -14.582
 Raman3 Fr= 1--      15.028                  1.440                 12.291
 ROA3   Fr= 1--       3.891               -127.761               -419.816
 CID3   Fr= 1--       0.259                -88.696                -34.156
 RC180  Fr= 1--      -0.083                 -0.915                 -0.090
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.17  -0.04    -0.16   0.06   0.19     0.04  -0.05   0.06
     2   6    -0.13   0.02  -0.14     0.11   0.05   0.09     0.06   0.10  -0.01
     3   6    -0.03  -0.05  -0.00    -0.12  -0.03   0.01     0.00  -0.13  -0.05
     4   6     0.02  -0.03  -0.01     0.01   0.03   0.03     0.05  -0.07   0.03
     5   6     0.05   0.01  -0.01     0.16   0.07  -0.04    -0.05  -0.04   0.02
     6   6     0.04  -0.01  -0.01     0.03  -0.10  -0.06    -0.05   0.12  -0.05
     7   6     0.02   0.04  -0.02    -0.00  -0.09  -0.12     0.01   0.17   0.00
     8   6     0.03  -0.04   0.03     0.00  -0.00  -0.01    -0.02  -0.07  -0.03
     9   1    -0.27   0.29  -0.10    -0.25   0.13   0.14     0.09  -0.06   0.08
    10   1    -0.23  -0.05  -0.29     0.03  -0.06  -0.06     0.11  -0.01  -0.08
    11   1     0.11  -0.07   0.07    -0.25   0.03  -0.37     0.01  -0.13  -0.13
    12   1     0.04   0.02  -0.03     0.28   0.07  -0.04    -0.15  -0.04   0.01
    13   1     0.07   0.03  -0.03     0.12   0.01  -0.02     0.02   0.03  -0.02
    14   1     0.03   0.01  -0.02     0.17   0.03  -0.03    -0.11  -0.03   0.00
    15   1     0.04  -0.08   0.02     0.23  -0.14   0.16     0.05  -0.06   0.14
    16   1    -0.02   0.02   0.02    -0.30  -0.12   0.03    -0.35   0.12   0.04
    17   1     0.09  -0.18  -0.08    -0.17  -0.22  -0.12    -0.16  -0.38  -0.08
    18   1     0.02   0.06   0.18    -0.08  -0.07   0.08     0.16   0.22   0.56
    19   6    -0.02  -0.08   0.24     0.01   0.03  -0.08    -0.01  -0.01  -0.02
    20   6     0.16  -0.02  -0.05    -0.02   0.00   0.01    -0.00  -0.02  -0.01
    21   1    -0.02  -0.07   0.24    -0.01   0.01  -0.14     0.00   0.01   0.00
    22   1    -0.03  -0.10   0.26    -0.02   0.01  -0.04     0.01   0.05  -0.09
    23   1    -0.05  -0.09   0.28    -0.01   0.02  -0.11    -0.00   0.00   0.06
    24   1     0.09   0.03  -0.04     0.04   0.04   0.03    -0.00   0.05   0.01
    25   1     0.27   0.02  -0.12     0.05   0.02   0.03     0.13   0.03  -0.03
    26   1     0.17   0.02  -0.08    -0.11   0.03   0.08    -0.11   0.06   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    788.5656               844.2706               882.3203
 Red. masses --      2.1845                 2.1540                 1.6054
 Frc consts  --      0.8003                 0.9046                 0.7364
 IR Inten    --      3.0379                 7.8695                 7.1651
 RamAct Fr= 1--      5.4231                 4.4273                 8.3990
  Dep-P Fr= 1--      0.6270                 0.1637                 0.2736
  Dep-U Fr= 1--      0.7707                 0.2814                 0.4296
 Alpha2 Fr= 1--      0.0121                 0.0661                 0.0931
 Beta2  Fr= 1--      0.6966                 0.2076                 0.6014
 AlphaG Fr= 1--     -0.1273                -0.2339                 0.3046
 Gamma2 Fr= 1--      3.2379                 1.4209                -2.1761
 Delta2 Fr= 1--      0.2640                -0.4768                -0.9926
 Raman1 Fr= 1--      21.692                 17.709                 33.596
 ROA1   Fr= 1--     319.288                121.150               -240.673
 CID1   Fr= 1--      14.719                  6.841                 -7.164
 Raman2 Fr= 1--       8.360                  2.492                  7.217
 ROA2   Fr= 1--      75.599                 37.917                -44.287
 CID2   Fr= 1--       9.043                 15.217                 -6.137
 Raman3 Fr= 1--      16.719                  4.983                 14.434
 ROA3   Fr= 1--     319.288                121.150               -240.673
 CID3   Fr= 1--      19.097                 24.310                -16.674
 RC180  Fr= 1--       0.541                 -0.437                 -0.141
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.13    -0.03  -0.09  -0.10     0.02   0.02   0.12
     2   6     0.00  -0.11   0.14     0.13   0.11  -0.03    -0.03   0.01  -0.02
     3   6    -0.04  -0.10  -0.05    -0.14  -0.06  -0.03    -0.03   0.06  -0.15
     4   6     0.02  -0.01   0.04    -0.03   0.04   0.00     0.00   0.00   0.03
     5   6    -0.02  -0.02   0.03     0.07   0.04  -0.01     0.01  -0.01   0.03
     6   6     0.02   0.08  -0.06    -0.02  -0.07   0.02     0.01  -0.03  -0.01
     7   6     0.05  -0.03  -0.05    -0.05   0.03   0.06     0.01  -0.02   0.01
     8   6     0.03   0.13   0.05    -0.03   0.04  -0.01     0.01  -0.05   0.01
     9   1    -0.04   0.27  -0.19     0.11  -0.39   0.02     0.16   0.10   0.15
    10   1     0.02  -0.07   0.19     0.32   0.21   0.20    -0.20  -0.05  -0.20
    11   1     0.03  -0.15   0.37    -0.15  -0.11   0.52     0.28  -0.05   0.74
    12   1    -0.01   0.00  -0.10     0.20   0.06  -0.11    -0.04   0.02  -0.11
    13   1     0.09   0.03  -0.09     0.08  -0.01  -0.06     0.16   0.08  -0.11
    14   1    -0.21  -0.11  -0.01    -0.03  -0.06  -0.02    -0.20  -0.05  -0.02
    15   1     0.23  -0.06   0.22    -0.12  -0.09  -0.06     0.01  -0.07   0.01
    16   1    -0.29   0.21   0.10     0.08  -0.06  -0.00     0.01   0.04   0.02
    17   1    -0.16  -0.05  -0.03     0.02   0.05   0.05     0.04   0.05   0.01
    18   1     0.25  -0.05  -0.03    -0.27   0.05   0.06    -0.02  -0.02  -0.06
    19   6     0.01   0.03  -0.00    -0.01  -0.00   0.06     0.02   0.01  -0.04
    20   6     0.01   0.03   0.01     0.07   0.00  -0.03    -0.02  -0.03   0.00
    21   1    -0.00  -0.00  -0.04    -0.00  -0.06   0.10    -0.00   0.02  -0.12
    22   1    -0.01  -0.06   0.10     0.01  -0.06   0.09    -0.02   0.00  -0.01
    23   1    -0.00   0.01  -0.11     0.02  -0.00  -0.04    -0.01  -0.00  -0.02
    24   1    -0.02  -0.09  -0.03     0.11  -0.00  -0.03    -0.05   0.06   0.03
    25   1    -0.25  -0.05   0.05     0.05  -0.00  -0.01     0.13   0.03  -0.03
    26   1     0.22  -0.09  -0.10     0.06  -0.01  -0.01    -0.14   0.06   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --    919.3963               972.4625               973.0075
 Red. masses --      2.4308                 1.6328                 1.2734
 Frc consts  --      1.2106                 0.9098                 0.7103
 IR Inten    --      0.6923                 4.1666                 0.2996
 RamAct Fr= 1--      9.0871                 3.7023                 3.2172
  Dep-P Fr= 1--      0.4554                 0.5757                 0.2436
  Dep-U Fr= 1--      0.6258                 0.7308                 0.3917
 Alpha2 Fr= 1--      0.0545                 0.0121                 0.0388
 Beta2  Fr= 1--      0.9478                 0.4509                 0.2100
 AlphaG Fr= 1--     -0.0669                -0.0196                 0.0153
 Gamma2 Fr= 1--     -0.0548                 1.7221                -1.2340
 Delta2 Fr= 1--      0.9554                 0.0571                -0.4276
 Raman1 Fr= 1--      36.348                 14.809                 12.869
 ROA1   Fr= 1--      25.308                167.149               -132.152
 CID1   Fr= 1--       0.696                 11.287                -10.269
 Raman2 Fr= 1--      11.373                  5.411                  2.520
 ROA2   Fr= 1--      -8.959                 40.874                -26.196
 CID2   Fr= 1--      -0.788                  7.554                -10.393
 Raman3 Fr= 1--      22.747                 10.822                  5.041
 ROA3   Fr= 1--      25.308                167.149               -132.152
 CID3   Fr= 1--       1.113                 15.446                -26.216
 RC180  Fr= 1--       0.252                  0.462                 -0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.06  -0.00     0.05  -0.05  -0.05    -0.05   0.03  -0.00
     2   6    -0.11   0.06   0.04     0.04  -0.01  -0.01    -0.02  -0.01  -0.01
     3   6     0.01   0.04   0.01    -0.02   0.03   0.00     0.01   0.00   0.00
     4   6     0.02   0.07   0.02    -0.01   0.03   0.00     0.01  -0.02  -0.00
     5   6    -0.09   0.03   0.04    -0.01   0.03  -0.01     0.00  -0.02   0.01
     6   6     0.23  -0.07  -0.07    -0.02  -0.09   0.01     0.03   0.03  -0.03
     7   6    -0.09   0.01  -0.03     0.02   0.08   0.01    -0.02  -0.01   0.02
     8   6    -0.04  -0.02  -0.04     0.09   0.00  -0.02     0.02   0.00  -0.03
     9   1     0.07   0.03  -0.04    -0.21   0.36  -0.25     0.10  -0.33   0.14
    10   1    -0.15   0.12   0.07    -0.10  -0.17  -0.27     0.07   0.10   0.16
    11   1    -0.12   0.06  -0.04    -0.13   0.03   0.12     0.08   0.01  -0.09
    12   1     0.27   0.04  -0.08     0.16   0.03  -0.01    -0.07  -0.01  -0.00
    13   1    -0.20  -0.22   0.00    -0.11  -0.10   0.03     0.06   0.05  -0.02
    14   1    -0.19  -0.23   0.05     0.03  -0.05   0.02    -0.04   0.01  -0.01
    15   1     0.44  -0.20   0.21    -0.12  -0.12  -0.07     0.08  -0.03   0.06
    16   1    -0.12   0.09   0.12    -0.06  -0.22  -0.05    -0.02   0.12   0.04
    17   1    -0.24  -0.07  -0.03     0.01  -0.13  -0.03    -0.05   0.06   0.03
    18   1    -0.25   0.03   0.07    -0.03   0.11   0.23     0.01  -0.03  -0.07
    19   6    -0.03  -0.04   0.02     0.07  -0.03   0.03     0.08  -0.01   0.04
    20   6     0.04   0.00  -0.03    -0.10   0.04   0.03    -0.05   0.01  -0.07
    21   1     0.01   0.00   0.16    -0.04   0.15  -0.31    -0.05   0.12  -0.37
    22   1     0.03   0.09  -0.14    -0.13   0.01   0.14    -0.18  -0.06   0.28
    23   1     0.03   0.00   0.13    -0.15  -0.09   0.27    -0.19  -0.10   0.20
    24   1     0.12  -0.04  -0.03    -0.06  -0.05   0.01     0.42  -0.02  -0.04
    25   1    -0.01  -0.02   0.03    -0.26  -0.02   0.09    -0.10   0.01   0.22
    26   1     0.03  -0.02   0.00    -0.04  -0.04   0.03    -0.28  -0.04   0.24
                     25                     26                     27
                      A                      A                      A
 Frequencies --    978.3766               990.1921              1008.2133
 Red. masses --      2.1150                 2.0713                 1.4900
 Frc consts  --      1.1928                 1.1965                 0.8924
 IR Inten    --      0.1249                 2.9968                 4.8211
 RamAct Fr= 1--     24.2438                 3.2383                 6.9373
  Dep-P Fr= 1--      0.6398                 0.7181                 0.1973
  Dep-U Fr= 1--      0.7804                 0.8359                 0.3295
 Alpha2 Fr= 1--      0.0483                 0.0018                 0.0949
 Beta2  Fr= 1--      3.1532                 0.4512                 0.3810
 AlphaG Fr= 1--     -0.1276                -0.0404                 0.1091
 Gamma2 Fr= 1--     -3.4659                -2.8219                -0.9024
 Delta2 Fr= 1--     -0.1217                -1.6439                 0.1688
 Raman1 Fr= 1--      96.975                 12.953                 27.749
 ROA1   Fr= 1--    -336.621               -323.511                -81.226
 CID1   Fr= 1--      -3.471                -24.975                 -2.927
 Raman2 Fr= 1--      37.838                  5.414                  4.572
 ROA2   Fr= 1--     -82.207                -54.575                -23.007
 CID2   Fr= 1--      -2.173                -10.081                 -5.032
 Raman3 Fr= 1--      75.676                 10.828                  9.144
 ROA3   Fr= 1--    -336.621               -323.511                -81.226
 CID3   Fr= 1--      -4.448                -29.878                 -8.883
 RC180  Fr= 1--       0.561                  0.672                 -0.341
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.04   0.04    -0.02  -0.09  -0.01    -0.01   0.02  -0.06
     2   6     0.07   0.12   0.03     0.06  -0.04   0.06     0.06   0.00  -0.03
     3   6    -0.01  -0.11  -0.01     0.04   0.14   0.01     0.02  -0.05   0.04
     4   6     0.01   0.01   0.00    -0.00  -0.01   0.00     0.02   0.02  -0.01
     5   6    -0.00  -0.01   0.00     0.02  -0.04   0.01    -0.03   0.04   0.05
     6   6    -0.04   0.09   0.05    -0.04  -0.07  -0.09    -0.01   0.01  -0.05
     7   6    -0.01  -0.13  -0.05     0.08   0.05   0.07    -0.03  -0.02   0.07
     8   6    -0.02   0.01  -0.09    -0.06   0.05  -0.06     0.05  -0.01   0.01
     9   1    -0.06   0.51  -0.16    -0.12  -0.05  -0.05     0.06  -0.01  -0.03
    10   1    -0.27   0.12  -0.22    -0.24  -0.16  -0.28    -0.22   0.05  -0.21
    11   1    -0.12  -0.10   0.03    -0.03   0.16  -0.07    -0.06  -0.02  -0.23
    12   1    -0.03  -0.01   0.00    -0.22  -0.04   0.02     0.19   0.05  -0.11
    13   1     0.01   0.01  -0.00     0.15   0.15  -0.03    -0.01  -0.09  -0.07
    14   1    -0.01  -0.00  -0.00    -0.03   0.09  -0.02    -0.23  -0.18   0.03
    15   1    -0.00   0.30  -0.02     0.00  -0.26   0.04    -0.00  -0.16   0.04
    16   1     0.16   0.10  -0.01    -0.25  -0.01   0.00    -0.06   0.19   0.05
    17   1     0.06   0.14  -0.00    -0.07   0.09   0.10    -0.06   0.20   0.11
    18   1    -0.08  -0.14  -0.26     0.14   0.04   0.00    -0.09  -0.04  -0.16
    19   6    -0.03  -0.03   0.09    -0.07   0.02   0.07     0.03   0.05   0.01
    20   6    -0.03   0.01  -0.06     0.02   0.00  -0.07    -0.04  -0.08   0.04
    21   1    -0.01  -0.06   0.18     0.01  -0.19   0.33    -0.01  -0.08  -0.12
    22   1     0.01  -0.01   0.02     0.09  -0.11   0.07    -0.02  -0.15   0.24
    23   1     0.02  -0.01   0.07     0.10   0.05  -0.26    -0.02   0.00  -0.23
    24   1     0.27  -0.02  -0.04     0.31   0.01  -0.04    -0.30   0.17   0.10
    25   1    -0.08   0.00   0.13     0.01   0.01   0.09     0.34   0.05  -0.16
    26   1    -0.21  -0.01   0.15    -0.15  -0.00   0.13    -0.20   0.15  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.7123              1043.8992              1076.7060
 Red. masses --      1.4043                 1.5494                 1.4637
 Frc consts  --      0.8910                 0.9948                 0.9998
 IR Inten    --      2.3209                 3.7899                 0.0668
 RamAct Fr= 1--      1.7476                 4.0426                 2.9739
  Dep-P Fr= 1--      0.7499                 0.4590                 0.1828
  Dep-U Fr= 1--      0.8571                 0.6292                 0.3091
 Alpha2 Fr= 1--      0.0000                 0.0239                 0.0423
 Beta2  Fr= 1--      0.2496                 0.4239                 0.1532
 AlphaG Fr= 1--      0.0022                 0.0533                -0.1078
 Gamma2 Fr= 1--     -0.6107                -0.6355                 1.4409
 Delta2 Fr= 1--      0.8068                -0.3217                 0.5156
 Raman1 Fr= 1--       6.990                 16.170                 11.896
 ROA1   Fr= 1--     -32.812                -71.302                154.822
 CID1   Fr= 1--      -4.694                 -4.409                 13.015
 Raman2 Fr= 1--       2.996                  5.087                  1.838
 ROA2   Fr= 1--     -21.112                -12.678                 30.456
 CID2   Fr= 1--      -7.048                 -2.492                 16.566
 Raman3 Fr= 1--       5.991                 10.174                  3.677
 ROA3   Fr= 1--     -32.812                -71.302                154.822
 CID3   Fr= 1--      -5.477                 -7.008                 42.106
 RC180  Fr= 1--       0.714                  0.258                 -0.382
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.00     0.01   0.05   0.05    -0.02   0.02  -0.03
     2   6     0.02   0.05  -0.04    -0.01  -0.00  -0.03     0.03   0.03  -0.00
     3   6    -0.04   0.02   0.03     0.02  -0.04  -0.00    -0.02  -0.01  -0.02
     4   6    -0.03  -0.01  -0.03     0.00   0.01  -0.02     0.02  -0.02   0.10
     5   6     0.06  -0.07   0.05    -0.02   0.09   0.06    -0.02   0.01  -0.10
     6   6     0.02   0.01  -0.06    -0.10  -0.03  -0.04    -0.01   0.02  -0.06
     7   6    -0.01  -0.02   0.04     0.09  -0.02   0.04     0.03  -0.03   0.06
     8   6     0.03  -0.01  -0.00    -0.02   0.00  -0.00     0.02   0.01  -0.02
     9   1    -0.12  -0.04  -0.04     0.12  -0.05   0.12     0.16  -0.28   0.11
    10   1    -0.05   0.05  -0.09     0.07   0.00   0.05    -0.32   0.11  -0.21
    11   1    -0.17   0.05  -0.14     0.10  -0.03  -0.17     0.03  -0.03   0.12
    12   1    -0.31  -0.04  -0.07     0.40   0.12  -0.19     0.03  -0.04   0.21
    13   1     0.39   0.27  -0.14    -0.03  -0.16  -0.11    -0.31  -0.10   0.21
    14   1    -0.21   0.08  -0.05    -0.30  -0.28   0.05     0.42   0.11   0.00
    15   1     0.09  -0.08   0.07    -0.22  -0.22  -0.06     0.10  -0.03   0.08
    16   1     0.03   0.27   0.07    -0.09   0.01  -0.02    -0.21   0.01  -0.00
    17   1     0.03   0.12   0.06     0.17   0.09   0.05    -0.11   0.18   0.12
    18   1    -0.18  -0.02  -0.08     0.23  -0.05  -0.11     0.09  -0.06  -0.15
    19   6     0.01  -0.06  -0.02    -0.03  -0.05  -0.02    -0.00  -0.06  -0.00
    20   6    -0.00   0.04   0.06     0.01   0.05  -0.02    -0.01   0.01   0.03
    21   1     0.00   0.13  -0.03     0.01   0.05   0.13     0.00   0.09   0.04
    22   1    -0.02   0.14  -0.18     0.04   0.13  -0.23    -0.00   0.11  -0.16
    23   1    -0.02  -0.03   0.29     0.04   0.01   0.19     0.01  -0.02   0.23
    24   1    -0.21  -0.07   0.00     0.16  -0.10  -0.06    -0.12  -0.01   0.01
    25   1    -0.19  -0.03  -0.04    -0.21  -0.03   0.09    -0.07  -0.01  -0.03
    26   1     0.24  -0.05  -0.13     0.12  -0.09   0.00     0.10  -0.01  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1089.2258              1116.7563              1158.8464
 Red. masses --      1.8128                 1.6061                 1.7977
 Frc consts  --      1.2672                 1.1801                 1.4224
 IR Inten    --      2.5339                 0.7901                 3.8988
 RamAct Fr= 1--      7.4757                 4.2807                 7.1702
  Dep-P Fr= 1--      0.3865                 0.6088                 0.7273
  Dep-U Fr= 1--      0.5575                 0.7569                 0.8421
 Alpha2 Fr= 1--      0.0581                 0.0111                 0.0028
 Beta2  Fr= 1--      0.6946                 0.5400                 1.0063
 AlphaG Fr= 1--     -0.0254                -0.0232                -0.0183
 Gamma2 Fr= 1--      0.3341                -4.1168                 3.1584
 Delta2 Fr= 1--      0.4520                -0.8540                 0.0507
 Raman1 Fr= 1--      29.903                 17.123                 28.681
 ROA1   Fr= 1--      46.539               -422.543                304.829
 CID1   Fr= 1--       1.556                -24.677                 10.628
 Raman2 Fr= 1--       8.335                  6.480                 12.076
 ROA2   Fr= 1--       4.403                -91.972                 75.396
 CID2   Fr= 1--       0.528                -14.194                  6.244
 Raman3 Fr= 1--      16.670                 12.959                 24.152
 ROA3   Fr= 1--      46.539               -422.543                304.829
 CID3   Fr= 1--       2.792                -32.605                 12.621
 RC180  Fr= 1--       0.115                  0.514                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.02   0.02     0.02   0.03  -0.08    -0.02  -0.02   0.01
     2   6    -0.13   0.06  -0.05    -0.04   0.02   0.10     0.02  -0.06  -0.04
     3   6    -0.07  -0.00   0.02    -0.02  -0.01   0.06     0.00   0.00  -0.01
     4   6    -0.02   0.00   0.05    -0.07   0.00  -0.06     0.03   0.01   0.02
     5   6     0.02  -0.02  -0.03     0.04  -0.01   0.03    -0.01  -0.01  -0.01
     6   6    -0.04  -0.04  -0.08    -0.01  -0.04   0.05    -0.00   0.00  -0.02
     7   6     0.12  -0.01   0.03     0.06   0.02  -0.06    -0.03   0.00   0.02
     8   6    -0.01  -0.01  -0.00    -0.00   0.05   0.02     0.05   0.18   0.08
     9   1    -0.03   0.34  -0.11     0.48  -0.15   0.13    -0.15   0.17  -0.08
    10   1     0.24   0.32   0.48    -0.41   0.12  -0.10     0.27  -0.14   0.07
    11   1    -0.29   0.02   0.03    -0.24   0.01   0.01    -0.01   0.00   0.01
    12   1    -0.08  -0.03   0.07    -0.03   0.01  -0.08    -0.03  -0.02   0.04
    13   1     0.01   0.06   0.05     0.17   0.08  -0.08    -0.05  -0.01   0.03
    14   1     0.15   0.10  -0.02    -0.10   0.03  -0.02     0.04   0.00   0.00
    15   1     0.02  -0.17   0.04     0.02   0.15  -0.03    -0.04  -0.11  -0.00
    16   1    -0.22  -0.03  -0.02    -0.04  -0.27  -0.06     0.07   0.17   0.04
    17   1     0.12   0.09   0.05    -0.01  -0.11  -0.08     0.07  -0.00   0.00
    18   1     0.24  -0.04  -0.12     0.25   0.02   0.07    -0.14   0.01   0.02
    19   6     0.02   0.03   0.01     0.01  -0.04  -0.02    -0.03  -0.09  -0.04
    20   6    -0.00  -0.04   0.01    -0.00  -0.06  -0.01    -0.03  -0.09  -0.05
    21   1    -0.01  -0.03  -0.10     0.00   0.10  -0.01     0.02   0.18   0.15
    22   1    -0.03  -0.07   0.14    -0.02   0.11  -0.13     0.01   0.22  -0.34
    23   1    -0.04  -0.01  -0.07    -0.00  -0.02   0.20     0.09   0.01   0.31
    24   1    -0.07   0.05   0.03    -0.01   0.11   0.04     0.11   0.20   0.06
    25   1     0.17   0.02  -0.06     0.23   0.03  -0.03     0.36   0.05   0.02
    26   1    -0.08   0.06   0.00    -0.16   0.09   0.03    -0.37   0.14   0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1172.0732              1184.0870              1211.8555
 Red. masses --      1.5207                 2.6336                 1.6678
 Frc consts  --      1.2309                 2.1756                 1.4431
 IR Inten    --      1.8467                 1.8526                 0.9489
 RamAct Fr= 1--      3.4786                 3.6141                 3.4399
  Dep-P Fr= 1--      0.3635                 0.7415                 0.4379
  Dep-U Fr= 1--      0.5332                 0.8516                 0.6091
 Alpha2 Fr= 1--      0.0292                 0.0005                 0.0221
 Beta2  Fr= 1--      0.3091                 0.5130                 0.3492
 AlphaG Fr= 1--      0.1310                -0.0000                 0.0918
 Gamma2 Fr= 1--     -0.2537                -1.3398                 1.0211
 Delta2 Fr= 1--      0.6121                 0.5301                -0.3255
 Raman1 Fr= 1--      13.914                 14.457                 13.759
 ROA1   Fr= 1--      -4.772               -111.659                 87.611
 CID1   Fr= 1--      -0.343                 -7.724                  6.367
 Raman2 Fr= 1--       3.710                  6.156                  4.190
 ROA2   Fr= 1--     -10.986                -36.396                 27.111
 CID2   Fr= 1--      -2.961                 -5.913                  6.470
 Raman3 Fr= 1--       7.419                 12.311                  8.381
 ROA3   Fr= 1--      -4.772               -111.659                 87.611
 CID3   Fr= 1--      -0.643                 -9.070                 10.454
 RC180  Fr= 1--       0.066                  0.703                  0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.02    -0.11  -0.06   0.02     0.00  -0.05  -0.04
     2   6     0.02  -0.06  -0.03    -0.00   0.10   0.08    -0.03   0.05   0.09
     3   6    -0.04  -0.04   0.04     0.07   0.01  -0.04     0.02   0.03   0.01
     4   6     0.06   0.08   0.02     0.21   0.15  -0.04    -0.05  -0.07   0.06
     5   6    -0.02  -0.05  -0.02    -0.10  -0.06   0.02     0.01   0.04  -0.03
     6   6     0.01  -0.02  -0.02    -0.03  -0.02   0.03    -0.06  -0.01  -0.06
     7   6    -0.03   0.01   0.01     0.04  -0.05  -0.07     0.05  -0.00  -0.03
     8   6    -0.00  -0.06   0.05    -0.08   0.03  -0.01    -0.12  -0.00   0.04
     9   1     0.53   0.21   0.14    -0.24  -0.17   0.00     0.15   0.07  -0.02
    10   1     0.08  -0.24  -0.15    -0.09   0.14   0.05    -0.03  -0.23  -0.16
    11   1    -0.46   0.00   0.07    -0.26   0.04   0.09     0.13   0.02  -0.10
    12   1    -0.20  -0.06   0.09    -0.30  -0.08   0.09     0.17   0.03   0.02
    13   1    -0.03   0.04   0.06    -0.13  -0.06   0.05    -0.04  -0.01   0.02
    14   1     0.05   0.06  -0.02    -0.13  -0.05   0.01     0.11  -0.01   0.01
    15   1    -0.12  -0.24  -0.04    -0.35  -0.34  -0.14     0.06   0.04   0.04
    16   1     0.07   0.14   0.04     0.09  -0.06  -0.03     0.21   0.46   0.09
    17   1     0.11  -0.03  -0.02     0.23  -0.08  -0.10     0.51  -0.09  -0.11
    18   1    -0.18   0.02   0.03     0.14  -0.06  -0.06    -0.35   0.04   0.09
    19   6    -0.02   0.03  -0.02     0.05  -0.02   0.00     0.05   0.01  -0.01
    20   6    -0.01   0.04  -0.04     0.05  -0.02   0.03     0.05  -0.01  -0.01
    21   1     0.00  -0.05   0.03    -0.01   0.09  -0.18    -0.01   0.06  -0.20
    22   1     0.05  -0.02  -0.02    -0.11   0.03   0.07    -0.09   0.02   0.08
    23   1     0.03   0.03  -0.10    -0.10  -0.06   0.12    -0.10  -0.04   0.02
    24   1     0.19  -0.06  -0.05    -0.14   0.02   0.03     0.03   0.00  -0.01
    25   1    -0.11  -0.00   0.10     0.11  -0.00  -0.11     0.09   0.00  -0.05
    26   1     0.02  -0.08   0.05     0.10   0.04  -0.09     0.07   0.01  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1244.1193              1275.2351              1328.4859
 Red. masses --      1.4790                 1.5543                 2.0395
 Frc consts  --      1.3488                 1.4893                 2.1207
 IR Inten    --      6.5155                 3.5535                 0.3664
 RamAct Fr= 1--      4.3694                13.2330                 7.0101
  Dep-P Fr= 1--      0.5265                 0.2742                 0.5744
  Dep-U Fr= 1--      0.6898                 0.4304                 0.7297
 Alpha2 Fr= 1--      0.0190                 0.1464                 0.0232
 Beta2  Fr= 1--      0.5023                 0.9493                 0.8526
 AlphaG Fr= 1--     -0.0507                -0.1632                 0.0086
 Gamma2 Fr= 1--      0.4696                -7.0545                 1.4960
 Delta2 Fr= 1--      0.7811                -1.7412                 0.6468
 Raman1 Fr= 1--      17.477                 52.932                 28.041
 ROA1   Fr= 1--      70.079               -732.948                164.312
 CID1   Fr= 1--       4.010                -13.847                  5.860
 Raman2 Fr= 1--       6.028                 11.392                 10.231
 ROA2   Fr= 1--       5.023               -155.379                 30.730
 CID2   Fr= 1--       0.833                -13.639                  3.004
 Raman3 Fr= 1--      12.056                 22.784                 20.461
 ROA3   Fr= 1--      70.079               -732.948                164.312
 CID3   Fr= 1--       5.813                -32.170                  8.030
 RC180  Fr= 1--       0.380                 -0.139                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.00     0.02  -0.02  -0.00     0.03  -0.00  -0.05
     2   6    -0.01  -0.01   0.05     0.06   0.02  -0.04     0.02   0.04  -0.03
     3   6    -0.05   0.01  -0.00    -0.03   0.02   0.03    -0.01  -0.01  -0.00
     4   6    -0.02  -0.03   0.05    -0.05  -0.05   0.02     0.01  -0.01  -0.01
     5   6     0.01   0.00  -0.02     0.02   0.00  -0.01     0.00   0.00   0.00
     6   6     0.02  -0.01  -0.00     0.07   0.02   0.04     0.01   0.02  -0.00
     7   6    -0.04   0.03  -0.07    -0.09  -0.01  -0.01     0.01  -0.01   0.00
     8   6     0.13  -0.02  -0.04    -0.13   0.02   0.03    -0.02  -0.09   0.26
     9   1    -0.16  -0.24  -0.01     0.09   0.24  -0.04    -0.47  -0.13  -0.21
    10   1    -0.21   0.23   0.13     0.03  -0.07  -0.14    -0.37   0.32  -0.07
    11   1     0.02   0.00  -0.01     0.11   0.02  -0.05    -0.03  -0.01   0.02
    12   1     0.04  -0.00   0.03     0.05   0.01   0.00    -0.01   0.00  -0.01
    13   1     0.00   0.02   0.01     0.03   0.03  -0.01    -0.01  -0.02  -0.00
    14   1     0.07   0.01  -0.00     0.06   0.02  -0.00    -0.01  -0.01  -0.00
    15   1    -0.26  -0.38  -0.09    -0.26  -0.38  -0.09    -0.02  -0.02  -0.01
    16   1     0.31   0.40   0.11     0.16   0.11   0.05    -0.12  -0.11  -0.03
    17   1     0.27  -0.15  -0.15    -0.33   0.05   0.04     0.10   0.06   0.01
    18   1     0.23   0.02   0.05     0.61  -0.08  -0.10    -0.06   0.00   0.03
    19   6    -0.05   0.01   0.02     0.04  -0.01  -0.01    -0.00   0.02  -0.05
    20   6    -0.04   0.00   0.01     0.04  -0.00  -0.00    -0.01   0.03  -0.08
    21   1     0.00  -0.09   0.17    -0.01   0.08  -0.16    -0.04   0.06  -0.20
    22   1     0.09  -0.05  -0.02    -0.09   0.07   0.02     0.10   0.10  -0.21
    23   1     0.08   0.05  -0.06    -0.08  -0.05   0.02     0.08   0.03  -0.23
    24   1    -0.07   0.01   0.01     0.05  -0.01  -0.01     0.26  -0.03  -0.06
    25   1    -0.08  -0.01   0.05     0.07   0.00  -0.05     0.05   0.05   0.20
    26   1    -0.09   0.01   0.06     0.08  -0.00  -0.05     0.00  -0.17   0.12
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1336.5626              1347.6587              1382.5335
 Red. masses --      1.2482                 1.3658                 1.7038
 Frc consts  --      1.3137                 1.4615                 1.9188
 IR Inten    --      2.3356                 1.8784                 0.5617
 RamAct Fr= 1--      7.2987                 6.6193                 3.1388
  Dep-P Fr= 1--      0.5368                 0.1925                 0.7494
  Dep-U Fr= 1--      0.6986                 0.3229                 0.8567
 Alpha2 Fr= 1--      0.0300                 0.0917                 0.0000
 Beta2  Fr= 1--      0.8498                 0.3562                 0.4482
 AlphaG Fr= 1--     -0.0363                 0.0169                -0.0011
 Gamma2 Fr= 1--     -0.8448                -0.1339                 1.4596
 Delta2 Fr= 1--     -0.0580                 0.4428                 1.0327
 Raman1 Fr= 1--      29.195                 26.477                 12.555
 ROA1   Fr= 1--     -82.953                  1.311                173.166
 CID1   Fr= 1--      -2.841                  0.050                 13.792
 Raman2 Fr= 1--      10.198                  4.274                  5.378
 ROA2   Fr= 1--     -19.811                 -6.757                 26.769
 CID2   Fr= 1--      -1.943                 -1.581                  4.977
 Raman3 Fr= 1--      20.396                  8.548                 10.756
 ROA3   Fr= 1--     -82.953                  1.311                173.166
 CID3   Fr= 1--      -4.067                  0.153                 16.099
 RC180  Fr= 1--       0.397                 -0.354                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.00     0.05   0.03  -0.01    -0.12  -0.07   0.03
     2   6     0.02  -0.04  -0.01    -0.00   0.02   0.04     0.07  -0.05  -0.05
     3   6    -0.05  -0.02   0.03    -0.03  -0.01   0.00     0.08   0.07  -0.00
     4   6    -0.02   0.08   0.02    -0.02  -0.01  -0.01     0.01  -0.11  -0.02
     5   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.02   0.03   0.01
     6   6     0.03   0.04   0.01     0.07   0.08  -0.02     0.02   0.04  -0.01
     7   6     0.04  -0.00  -0.02    -0.10  -0.03   0.04    -0.07   0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01  -0.00
     9   1     0.25   0.22   0.02    -0.11  -0.13  -0.03     0.30   0.37   0.08
    10   1    -0.18   0.26   0.12     0.13  -0.28  -0.13    -0.20   0.48   0.23
    11   1     0.61  -0.06  -0.22     0.02  -0.01   0.01    -0.36   0.10   0.11
    12   1    -0.07  -0.02   0.01    -0.03   0.00  -0.03     0.11   0.03  -0.02
    13   1     0.02   0.07   0.05     0.01  -0.01  -0.00     0.03  -0.05  -0.11
    14   1    -0.01   0.09  -0.03    -0.02   0.03  -0.01     0.09  -0.08   0.05
    15   1    -0.21  -0.26  -0.08    -0.02  -0.11  -0.02     0.06   0.08   0.01
    16   1    -0.16  -0.17  -0.04    -0.39  -0.38  -0.11    -0.11  -0.03  -0.01
    17   1     0.07  -0.03  -0.03     0.68   0.01  -0.06     0.36   0.01  -0.05
    18   1    -0.34   0.03   0.06     0.14  -0.06  -0.06     0.06   0.02   0.06
    19   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.01
    20   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.00
    21   1     0.00   0.00   0.01     0.01  -0.03   0.02     0.01   0.01   0.03
    22   1    -0.00   0.00  -0.00    -0.00  -0.03   0.04    -0.01  -0.01   0.01
    23   1    -0.00  -0.00   0.02    -0.02  -0.00   0.05     0.01   0.01   0.03
    24   1    -0.01   0.01   0.00    -0.02   0.00   0.01    -0.03  -0.00  -0.00
    25   1    -0.02  -0.01   0.01     0.01  -0.00  -0.03    -0.08  -0.01   0.02
    26   1     0.01   0.01  -0.01    -0.02   0.03  -0.01     0.02  -0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1399.1822              1410.8195              1414.1050
 Red. masses --      1.6354                 1.3228                 1.2926
 Frc consts  --      1.8863                 1.5512                 1.5229
 IR Inten    --      0.7477                 6.3080                 1.4291
 RamAct Fr= 1--     10.4678                 0.4062                12.5397
  Dep-P Fr= 1--      0.2786                 0.4323                 0.4334
  Dep-U Fr= 1--      0.4358                 0.6036                 0.6047
 Alpha2 Fr= 1--      0.1144                 0.0027                 0.0821
 Beta2  Fr= 1--      0.7602                 0.0409                 1.2638
 AlphaG Fr= 1--     -0.2915                -0.0104                 0.0891
 Gamma2 Fr= 1--     -2.4266                 0.0838                 1.3169
 Delta2 Fr= 1--      0.2851                 0.0086                 0.5669
 Raman1 Fr= 1--      41.871                  1.625                 50.159
 ROA1   Fr= 1--    -223.829                  8.326                144.559
 CID1   Fr= 1--      -5.346                  5.124                  2.882
 Raman2 Fr= 1--       9.123                  0.490                 15.165
 ROA2   Fr= 1--     -60.518                  1.943                 27.070
 CID2   Fr= 1--      -6.634                  3.963                  1.785
 Raman3 Fr= 1--      18.246                  0.981                 30.331
 ROA3   Fr= 1--    -223.829                  8.326                144.559
 CID3   Fr= 1--     -12.267                  8.489                  4.766
 RC180  Fr= 1--      -0.128                  0.207                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.01
     2   6     0.03   0.01  -0.02    -0.00  -0.01   0.01    -0.01   0.01   0.00
     3   6    -0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     4   6     0.03   0.12   0.00     0.00   0.00  -0.00     0.02   0.04  -0.00
     5   6     0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.13  -0.06   0.03
     6   6    -0.05  -0.14  -0.03     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6    -0.10   0.04   0.03    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.02     0.02   0.02  -0.05     0.01  -0.00   0.01
     9   1     0.07   0.12  -0.01     0.04  -0.01   0.04    -0.03  -0.03  -0.01
    10   1    -0.03   0.09   0.01     0.03  -0.00   0.04     0.02  -0.04  -0.03
    11   1     0.37  -0.06  -0.12    -0.01   0.00   0.01     0.04  -0.02  -0.02
    12   1    -0.09  -0.02   0.01     0.06  -0.00  -0.02     0.49  -0.02  -0.16
    13   1    -0.05   0.04   0.12     0.05   0.04  -0.04     0.38   0.32  -0.32
    14   1    -0.11   0.08  -0.05     0.07   0.03   0.02     0.51   0.25   0.12
    15   1     0.36   0.40   0.10    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    16   1     0.11   0.15   0.06    -0.01  -0.00  -0.00    -0.02   0.00   0.01
    17   1     0.30  -0.02  -0.03     0.06   0.00  -0.01    -0.00   0.00   0.00
    18   1     0.52  -0.01  -0.03    -0.02   0.01   0.03     0.02  -0.01  -0.02
    19   6    -0.00   0.00  -0.01    -0.01  -0.03   0.10    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.00    -0.10   0.00   0.05     0.00  -0.00  -0.01
    21   1     0.00  -0.00   0.00    -0.13   0.11  -0.35     0.02  -0.02   0.06
    22   1     0.02  -0.02  -0.00     0.14   0.23  -0.28    -0.01  -0.05   0.04
    23   1     0.02   0.01   0.01     0.09  -0.03  -0.36    -0.00   0.01   0.07
    24   1     0.04  -0.01  -0.01     0.38  -0.08   0.04    -0.02   0.01  -0.00
    25   1     0.02   0.02   0.02     0.34   0.13  -0.19    -0.01  -0.00   0.03
    26   1     0.04  -0.04  -0.00     0.30  -0.10  -0.27    -0.02  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1423.7442              1438.7864              1477.7291
 Red. masses --      1.3657                 2.2210                 1.0573
 Frc consts  --      1.6311                 2.7089                 1.3603
 IR Inten    --      1.5655                 1.9144                 7.6843
 RamAct Fr= 1--     10.9040                54.3608                11.4795
  Dep-P Fr= 1--      0.1379                 0.2079                 0.4939
  Dep-U Fr= 1--      0.2423                 0.3442                 0.6612
 Alpha2 Fr= 1--      0.1738                 0.7229                 0.0583
 Beta2  Fr= 1--      0.4404                 3.1184                 1.2651
 AlphaG Fr= 1--     -0.1028                -0.5772                -0.1842
 Gamma2 Fr= 1--     -0.8457                -4.2512                -1.3886
 Delta2 Fr= 1--     -0.1876                 0.4396                 0.2170
 Raman1 Fr= 1--      43.616                217.443                 45.918
 ROA1   Fr= 1--     -87.186               -394.045               -126.360
 CID1   Fr= 1--      -1.999                 -1.812                 -2.752
 Raman2 Fr= 1--       5.285                 37.421                 15.181
 ROA2   Fr= 1--     -18.795               -105.546                -35.061
 CID2   Fr= 1--      -3.557                 -2.821                 -2.310
 Raman3 Fr= 1--      10.569                 74.842                 30.362
 ROA3   Fr= 1--     -87.186               -394.045               -126.360
 CID3   Fr= 1--      -8.249                 -5.265                 -4.162
 RC180  Fr= 1--      -0.515                 -0.312                  0.322
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02    -0.13  -0.12  -0.06     0.01   0.01   0.00
     2   6    -0.01   0.05   0.01    -0.08   0.17   0.02     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.00     0.04   0.04   0.01    -0.01  -0.00   0.00
     4   6    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.00   0.01  -0.02
     5   6     0.01   0.01  -0.00     0.00   0.01  -0.01    -0.02   0.00  -0.04
     6   6     0.01   0.01   0.01     0.01   0.03   0.01    -0.03   0.02  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.05  -0.01    -0.01  -0.00  -0.00
     8   6     0.04  -0.02   0.03     0.15  -0.05   0.05    -0.01   0.00  -0.00
     9   1     0.03   0.04  -0.01     0.34   0.17   0.03    -0.02  -0.01  -0.00
    10   1     0.04  -0.04  -0.04     0.34  -0.31  -0.12    -0.02   0.02   0.01
    11   1     0.01   0.02  -0.00     0.09   0.03  -0.04     0.01  -0.00   0.01
    12   1    -0.02   0.00   0.01     0.01  -0.00   0.03     0.21  -0.10   0.57
    13   1    -0.02  -0.02   0.01    -0.02   0.01   0.02     0.14   0.41   0.08
    14   1    -0.03  -0.03  -0.00    -0.02  -0.01  -0.01    -0.13  -0.38   0.01
    15   1    -0.04  -0.05  -0.00    -0.02  -0.14   0.06     0.16  -0.16   0.25
    16   1     0.01  -0.02  -0.01     0.06  -0.09  -0.06     0.23  -0.19  -0.17
    17   1    -0.06  -0.00   0.01    -0.08   0.12   0.04     0.04   0.08   0.01
    18   1     0.01  -0.02  -0.04     0.16  -0.06  -0.02     0.01   0.01   0.09
    19   6    -0.01   0.03  -0.10    -0.06  -0.00   0.03     0.00  -0.00  -0.00
    20   6    -0.11   0.01   0.02     0.00   0.01  -0.02     0.00   0.00   0.00
    21   1     0.12  -0.12   0.35    -0.11   0.03  -0.22     0.01   0.05   0.03
    22   1    -0.06  -0.29   0.27     0.30  -0.05  -0.19    -0.04   0.00   0.03
    23   1    -0.02   0.07   0.38     0.26   0.10  -0.12     0.02   0.00  -0.01
    24   1     0.39  -0.08   0.02    -0.17   0.03  -0.02     0.00  -0.03  -0.01
    25   1     0.36   0.16  -0.07    -0.13  -0.03   0.16     0.01   0.00  -0.03
    26   1     0.30  -0.19  -0.20    -0.13  -0.04   0.17    -0.01   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1483.6237              1485.1644              1490.0952
 Red. masses --      1.0627                 1.0633                 1.0656
 Frc consts  --      1.3782                 1.3818                 1.3941
 IR Inten    --      0.5260                 0.3244                 6.1161
 RamAct Fr= 1--     13.1792                11.4114                30.1121
  Dep-P Fr= 1--      0.5818                 0.5907                 0.4331
  Dep-U Fr= 1--      0.7357                 0.7427                 0.6044
 Alpha2 Fr= 1--      0.0415                 0.0339                 0.1973
 Beta2  Fr= 1--      1.6159                 1.4125                 3.0334
 AlphaG Fr= 1--      0.0359                -0.1095                -0.0850
 Gamma2 Fr= 1--      1.5285                -3.8128                -3.1837
 Delta2 Fr= 1--      1.3674                 0.7871                -0.9318
 Raman1 Fr= 1--      52.717                 45.646                120.449
 ROA1   Fr= 1--     190.493               -340.837               -335.457
 CID1   Fr= 1--       3.614                 -7.467                 -2.785
 Raman2 Fr= 1--      19.391                 16.950                 36.401
 ROA2   Fr= 1--      25.746                -97.803                -68.955
 CID2   Fr= 1--       1.328                 -5.770                 -1.894
 Raman3 Fr= 1--      38.781                 33.900                 72.801
 ROA3   Fr= 1--     190.493               -340.837               -335.457
 CID3   Fr= 1--       4.912                -10.054                 -4.608
 RC180  Fr= 1--       0.471                  0.485                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.00  -0.01
     4   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
     5   6    -0.00   0.01  -0.02     0.00  -0.01   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03   0.01    -0.04   0.03  -0.01     0.01   0.01   0.00
     7   6     0.01   0.01   0.02    -0.00   0.01   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.01  -0.00   0.01
    10   1     0.02  -0.01  -0.01    -0.02   0.03   0.01     0.00   0.01   0.01
    11   1    -0.00  -0.00   0.00    -0.01   0.00   0.01    -0.11   0.00   0.04
    12   1     0.05  -0.05   0.31    -0.01   0.03  -0.19     0.41  -0.02  -0.12
    13   1     0.08   0.17   0.00    -0.05  -0.09   0.01    -0.17   0.34   0.48
    14   1    -0.04  -0.25   0.02     0.01   0.16  -0.02    -0.39   0.43  -0.18
    15   1    -0.18   0.22  -0.30     0.18  -0.21   0.30    -0.05  -0.00  -0.04
    16   1    -0.30   0.17   0.19     0.30  -0.17  -0.19    -0.05   0.01   0.02
    17   1    -0.04  -0.22  -0.03     0.00  -0.03  -0.01    -0.01  -0.08  -0.01
    18   1    -0.02  -0.02  -0.23    -0.01   0.01  -0.03    -0.03  -0.01  -0.08
    19   6    -0.00   0.02   0.01    -0.00   0.02   0.00     0.01   0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.00  -0.00
    21   1    -0.03  -0.26  -0.13    -0.03  -0.27  -0.12     0.01  -0.04   0.03
    22   1     0.19  -0.02  -0.11     0.19  -0.05  -0.09    -0.04   0.06  -0.02
    23   1    -0.13  -0.03   0.11    -0.13  -0.03   0.14    -0.08  -0.04  -0.03
    24   1     0.05   0.29   0.10     0.11   0.42   0.15    -0.04  -0.03  -0.01
    25   1    -0.08  -0.03   0.20    -0.14  -0.06   0.26     0.05   0.02   0.03
    26   1     0.08   0.08  -0.18     0.11   0.15  -0.29     0.02  -0.06   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1491.4465              1497.5912              1508.8378
 Red. masses --      1.0598                 1.0673                 1.1151
 Frc consts  --      1.3889                 1.4103                 1.4957
 IR Inten    --      4.0990                11.5976                 3.2981
 RamAct Fr= 1--      1.1083                 1.5202                 4.9593
  Dep-P Fr= 1--      0.7248                 0.5588                 0.6183
  Dep-U Fr= 1--      0.8405                 0.7170                 0.7641
 Alpha2 Fr= 1--      0.0005                 0.0055                 0.0120
 Beta2  Fr= 1--      0.1552                 0.1817                 0.6316
 AlphaG Fr= 1--      0.0018                -0.0063                -0.0087
 Gamma2 Fr= 1--      0.9054                 0.2312                 0.4630
 Delta2 Fr= 1--      0.3774                 0.4311                -0.4438
 Raman1 Fr= 1--       4.433                  6.081                 19.837
 ROA1   Fr= 1--      98.999                 35.995                 30.246
 CID1   Fr= 1--      22.332                  5.919                  1.525
 Raman2 Fr= 1--       1.863                  2.180                  7.579
 ROA2   Fr= 1--      18.712                  2.101                 14.663
 CID2   Fr= 1--      10.044                  0.964                  1.935
 Raman3 Fr= 1--       3.726                  4.360                 15.158
 ROA3   Fr= 1--      98.999                 35.995                 30.246
 CID3   Fr= 1--      26.570                  8.256                  1.995
 RC180  Fr= 1--       0.681                  0.434                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.04   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01   0.00
     7   6     0.00  -0.01  -0.02    -0.00  -0.04  -0.04     0.00   0.01   0.02
     8   6    -0.03  -0.00   0.01     0.00  -0.02  -0.02     0.05  -0.04   0.04
     9   1    -0.05  -0.01  -0.01     0.00  -0.02   0.01     0.02   0.01  -0.01
    10   1    -0.04   0.03   0.00     0.03  -0.03  -0.00     0.03  -0.02  -0.02
    11   1    -0.03  -0.00   0.01    -0.00   0.00  -0.00     0.02   0.00  -0.01
    12   1     0.07  -0.01  -0.01     0.02  -0.01   0.02    -0.00   0.00  -0.00
    13   1    -0.03   0.07   0.09    -0.01   0.03   0.03     0.00  -0.00  -0.01
    14   1    -0.07   0.07  -0.03    -0.03   0.01  -0.01     0.01  -0.00   0.00
    15   1    -0.05   0.05  -0.08    -0.07   0.08  -0.12     0.01  -0.01   0.02
    16   1    -0.07   0.05   0.05    -0.11   0.08   0.07     0.01  -0.02  -0.01
    17   1     0.00   0.20   0.03     0.03   0.44   0.07    -0.01  -0.21  -0.03
    18   1     0.01   0.02   0.21     0.06   0.02   0.44    -0.00  -0.02  -0.23
    19   6    -0.03   0.00  -0.01     0.01  -0.02  -0.00     0.02  -0.02  -0.01
    20   6     0.02  -0.01   0.03    -0.01  -0.02  -0.02    -0.00  -0.02   0.02
    21   1    -0.08   0.13  -0.20     0.05   0.24   0.16     0.09   0.18   0.28
    22   1     0.25  -0.32   0.08    -0.24   0.07   0.11    -0.36   0.24   0.04
    23   1     0.35   0.17   0.21     0.07  -0.00  -0.16    -0.08  -0.08  -0.30
    24   1     0.25  -0.05   0.02    -0.02   0.39   0.12     0.31   0.07   0.07
    25   1    -0.24  -0.11  -0.33    -0.02  -0.00   0.36    -0.30  -0.12  -0.22
    26   1    -0.14   0.36  -0.18     0.16  -0.03  -0.18    -0.12   0.38  -0.24
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1514.2534              1723.9781              2996.1003
 Red. masses --      1.0706                 6.8206                 1.0683
 Frc consts  --      1.4464                11.9437                 5.6501
 IR Inten    --      1.7239                 1.8564                28.2786
 RamAct Fr= 1--      4.3616               150.2784               142.8268
  Dep-P Fr= 1--      0.4082                 0.1881                 0.2690
  Dep-U Fr= 1--      0.5797                 0.3167                 0.4239
 Alpha2 Fr= 1--      0.0314                 2.1058                 1.6042
 Beta2  Fr= 1--      0.4214                 7.9311                10.0911
 AlphaG Fr= 1--     -0.0832                -0.4105                -3.4493
 Gamma2 Fr= 1--      2.5517                -6.8304               -26.6011
 Delta2 Fr= 1--      0.1799                 2.7951                 6.9613
 Raman1 Fr= 1--      17.446                601.114                571.307
 ROA1   Fr= 1--     250.721               -566.270              -2330.942
 CID1   Fr= 1--      14.371                 -0.942                 -4.080
 Raman2 Fr= 1--       5.057                 95.173                121.093
 ROA2   Fr= 1--      59.802               -186.290               -694.116
 CID2   Fr= 1--      11.825                 -1.957                 -5.732
 Raman3 Fr= 1--      10.114                190.347                242.186
 ROA3   Fr= 1--     250.721               -566.270              -2330.942
 CID3   Fr= 1--      24.789                 -2.975                 -9.625
 RC180  Fr= 1--       0.159                 -0.367                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01     0.05  -0.01  -0.03    -0.00  -0.00  -0.00
     2   6     0.01  -0.01   0.00    -0.02   0.01   0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.42   0.20   0.16     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.43  -0.27  -0.16    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.05   0.01   0.02     0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00    -0.04   0.02   0.02    -0.03   0.04  -0.05
     7   6     0.00   0.03   0.03     0.02  -0.01   0.00     0.00  -0.01   0.01
     8   6    -0.03  -0.01  -0.02     0.02   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01  -0.00   0.00     0.17   0.07  -0.01    -0.00  -0.00   0.00
    10   1    -0.02   0.01   0.00    -0.00  -0.06  -0.04    -0.00   0.00   0.00
    11   1    -0.01   0.00   0.00     0.36   0.19  -0.09    -0.00  -0.01  -0.00
    12   1     0.01   0.00  -0.01     0.20   0.01  -0.06     0.00  -0.06  -0.01
    13   1    -0.00  -0.00   0.00    -0.16  -0.02   0.16    -0.07   0.04  -0.06
    14   1    -0.00   0.01  -0.00    -0.21   0.03  -0.04    -0.02   0.02   0.09
    15   1     0.02  -0.03   0.04     0.04   0.30  -0.05     0.16  -0.07  -0.19
    16   1     0.03  -0.03  -0.03    -0.04   0.09   0.06     0.23  -0.39   0.83
    17   1    -0.02  -0.37  -0.06    -0.02  -0.01   0.01    -0.01   0.02  -0.08
    18   1    -0.05  -0.02  -0.35    -0.06  -0.01  -0.02     0.00   0.08  -0.01
    19   6    -0.02  -0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.04   0.50  -0.06    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    22   1    -0.04  -0.20   0.20     0.02   0.01  -0.02     0.00   0.00   0.00
    23   1     0.47   0.17  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    24   1    -0.10   0.18   0.04    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1     0.06   0.02   0.25     0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.12  -0.11  -0.03    -0.01  -0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6737              3014.3738              3022.6815
 Red. masses --      1.0392                 1.0359                 1.0396
 Frc consts  --      5.5426                 5.5457                 5.5962
 IR Inten    --     50.6205                37.8153                49.3614
 RamAct Fr= 1--    362.3697               160.7006               315.6768
  Dep-P Fr= 1--      0.0641                 0.0674                 0.0401
  Dep-U Fr= 1--      0.1205                 0.1263                 0.0772
 Alpha2 Fr= 1--      6.9204                 3.0448                 6.3834
 Beta2  Fr= 1--      7.2790                 3.3834                 4.0605
 AlphaG Fr= 1--     -1.3269                -0.1667                -0.0304
 Gamma2 Fr= 1--    -12.5176                -0.9979                 4.2230
 Delta2 Fr= 1--      1.5068                -0.1594                 0.0234
 Raman1 Fr= 1--    1449.479                642.802               1262.707
 ROA1   Fr= 1--   -1153.467               -100.903                406.153
 CID1   Fr= 1--      -0.796                 -0.157                  0.322
 Raman2 Fr= 1--      87.348                 40.601                 48.726
 ROA2   Fr= 1--    -312.476                -22.675                101.164
 CID2   Fr= 1--      -3.577                 -0.558                  2.076
 Raman3 Fr= 1--     174.697                 81.202                 97.452
 ROA3   Fr= 1--   -1153.467               -100.903                406.153
 CID3   Fr= 1--      -6.603                 -1.243                  4.168
 RC180  Fr= 1--      -0.759                 -0.747                 -0.846
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   1     0.01  -0.36  -0.06    -0.00   0.01   0.00    -0.00   0.01   0.00
    13   1    -0.45   0.27  -0.37     0.01  -0.01   0.01     0.01  -0.01   0.01
    14   1    -0.14   0.11   0.62     0.00  -0.00  -0.02     0.00  -0.00  -0.02
    15   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    16   1    -0.04   0.07  -0.13     0.00  -0.01   0.01     0.00  -0.00   0.01
    17   1     0.00  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.02   0.07
    18   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.05  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.02  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.05  -0.01  -0.00     0.01  -0.00  -0.00
    21   1     0.01   0.00  -0.00    -0.09  -0.00   0.02     0.31   0.01  -0.08
    22   1    -0.01  -0.01  -0.01     0.10   0.12   0.12    -0.33  -0.42  -0.43
    23   1    -0.00   0.01  -0.00     0.07  -0.17   0.01    -0.21   0.54  -0.05
    24   1    -0.00  -0.01   0.02    -0.02  -0.14   0.41    -0.01  -0.04   0.13
    25   1    -0.01   0.02  -0.00    -0.18   0.57  -0.02    -0.05   0.16  -0.01
    26   1    -0.02  -0.01  -0.01    -0.37  -0.35  -0.35    -0.11  -0.10  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.9566              3046.2586              3048.0533
 Red. masses --      1.0751                 1.0973                 1.0766
 Frc consts  --      5.8345                 5.9993                 5.8931
 IR Inten    --     22.1002                16.3300                69.9743
 RamAct Fr= 1--     86.5648               125.0563               229.6605
  Dep-P Fr= 1--      0.6113                 0.5864                 0.1405
  Dep-U Fr= 1--      0.7588                 0.7393                 0.2465
 Alpha2 Fr= 1--      0.2207                 0.3821                 3.6361
 Beta2  Fr= 1--     10.9475                15.4087                 9.4335
 AlphaG Fr= 1--     -0.4951                -1.2321                 0.6369
 Gamma2 Fr= 1--     20.4996                24.9202               -59.6204
 Delta2 Fr= 1--     11.6638                11.1543               -32.1339
 Raman1 Fr= 1--     346.259                500.225                918.642
 ROA1   Fr= 1--    2341.202               2749.271              -6751.841
 CID1   Fr= 1--       6.761                  5.496                 -7.350
 Raman2 Fr= 1--     131.369                184.904                113.202
 ROA2   Fr= 1--     398.679                508.850              -1173.819
 CID2   Fr= 1--       3.035                  2.752                -10.369
 Raman3 Fr= 1--     262.739                369.809                226.405
 ROA3   Fr= 1--    2341.202               2749.271              -6751.841
 CID3   Fr= 1--       8.911                  7.434                -29.822
 RC180  Fr= 1--       0.518                  0.479                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.03   0.01  -0.08    -0.01   0.01  -0.02
     6   6    -0.03   0.01   0.05    -0.01   0.00   0.01     0.03  -0.01  -0.05
     7   6    -0.01  -0.03  -0.04     0.00   0.01   0.01    -0.01  -0.04  -0.03
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.01  -0.01   0.01     0.01   0.01  -0.01    -0.02  -0.03   0.03
    11   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1     0.00   0.04   0.00    -0.01   0.01  -0.02    -0.00  -0.03  -0.01
    13   1     0.03  -0.02   0.03     0.50  -0.29   0.37     0.11  -0.07   0.08
    14   1     0.00   0.00  -0.01    -0.17   0.12   0.64    -0.05   0.03   0.19
    15   1     0.45  -0.23  -0.47     0.10  -0.05  -0.10    -0.42   0.21   0.43
    16   1    -0.05   0.07  -0.13    -0.01   0.01  -0.03     0.04  -0.07   0.12
    17   1     0.07  -0.12   0.53    -0.02   0.03  -0.12     0.05  -0.09   0.38
    18   1     0.03   0.41  -0.06    -0.01  -0.16   0.02     0.05   0.59  -0.08
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.03   0.04   0.04    -0.01  -0.01  -0.01     0.02   0.03   0.03
    23   1     0.02  -0.05   0.01    -0.00   0.01  -0.00     0.01  -0.02   0.00
    24   1     0.00   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.01  -0.02
    25   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3065.2262              3068.9233              3070.0313
 Red. masses --      1.1013                 1.1008                 1.1031
 Frc consts  --      6.0965                 6.1082                 6.1259
 IR Inten    --      7.4328                35.1202                38.2896
 RamAct Fr= 1--     44.3456               197.0386                49.5346
  Dep-P Fr= 1--      0.7369                 0.7392                 0.7443
  Dep-U Fr= 1--      0.8486                 0.8501                 0.8534
 Alpha2 Fr= 1--      0.0099                 0.0362                 0.0048
 Beta2  Fr= 1--      6.2716                27.9158                 7.0455
 AlphaG Fr= 1--     -0.0137                -0.3637                 0.0136
 Gamma2 Fr= 1--    -17.8306               -20.3929                46.4236
 Delta2 Fr= 1--     -8.1177               -15.3064                29.1658
 Raman1 Fr= 1--     177.382                788.155                198.138
 ROA1   Fr= 1--   -1971.501              -2447.528               5389.975
 CID1   Fr= 1--     -11.114                 -3.105                 27.203
 Raman2 Fr= 1--      75.259                334.990                 84.546
 ROA2   Fr= 1--    -362.993               -366.979                880.841
 CID2   Fr= 1--      -4.823                 -1.095                 10.418
 Raman3 Fr= 1--     150.518                669.979                169.092
 ROA3   Fr= 1--   -1971.501              -2447.528               5389.975
 CID3   Fr= 1--     -13.098                 -3.653                 31.876
 RC180  Fr= 1--       0.697                  0.700                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.02
     7   6    -0.00   0.00  -0.00    -0.00   0.02  -0.02    -0.00   0.06  -0.06
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.05   0.07  -0.07
    11   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    12   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00   0.00   0.01    -0.03   0.02   0.03    -0.08   0.04   0.08
    16   1     0.00  -0.00   0.01     0.02  -0.02   0.05     0.04  -0.06   0.12
    17   1     0.00  -0.01   0.03     0.03  -0.05   0.25     0.09  -0.12   0.64
    18   1    -0.00  -0.02   0.00    -0.02  -0.24   0.03    -0.05  -0.60   0.06
    19   6     0.00   0.04   0.01    -0.01  -0.07  -0.02    -0.00   0.03   0.01
    20   6    -0.01  -0.08  -0.03    -0.01  -0.03  -0.01     0.00   0.02   0.01
    21   1    -0.01   0.01   0.01     0.04  -0.02  -0.02     0.04   0.01  -0.01
    22   1    -0.14  -0.17  -0.18     0.28   0.33   0.35    -0.09  -0.10  -0.11
    23   1     0.13  -0.31   0.03    -0.24   0.57  -0.07     0.10  -0.24   0.03
    24   1    -0.00  -0.02   0.01    -0.00  -0.02   0.03     0.00   0.01  -0.02
    25   1    -0.21   0.60  -0.03    -0.09   0.26  -0.01     0.05  -0.13   0.01
    26   1     0.39   0.34   0.36     0.18   0.15   0.16    -0.08  -0.07  -0.08
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.3739              3099.0003              3112.3083
 Red. masses --      1.1003                 1.0988                 1.0862
 Frc consts  --      6.1791                 6.2174                 6.1991
 IR Inten    --     27.4179                22.9595                15.2396
 RamAct Fr= 1--     63.7203                70.2102               132.8556
  Dep-P Fr= 1--      0.7201                 0.7306                 0.4689
  Dep-U Fr= 1--      0.8373                 0.8444                 0.6385
 Alpha2 Fr= 1--      0.0328                 0.0233                 0.7532
 Beta2  Fr= 1--      8.8919                 9.8804                14.1374
 AlphaG Fr= 1--     -0.0914                 0.0578                -0.4884
 Gamma2 Fr= 1--     -7.7855                 2.2934                 9.1520
 Delta2 Fr= 1--     -3.2467                 3.0775               -22.9275
 Raman1 Fr= 1--     254.881                280.841                531.422
 ROA1   Fr= 1--    -851.303                318.642                144.916
 CID1   Fr= 1--      -3.340                  1.135                  0.273
 Raman2 Fr= 1--     106.703                118.565                169.649
 ROA2   Fr= 1--    -160.878                 30.421                403.069
 CID2   Fr= 1--      -1.508                  0.257                  2.376
 Raman3 Fr= 1--     213.405                237.130                339.298
 ROA3   Fr= 1--    -851.303                318.642                144.916
 CID3   Fr= 1--      -3.989                  1.344                  0.427
 RC180  Fr= 1--       0.675                  0.689                  0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.07
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.02   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1     0.03  -0.02  -0.08    -0.01   0.01   0.02    -0.32   0.22   0.86
    10   1     0.02   0.03  -0.03     0.00   0.00  -0.00     0.09   0.10  -0.12
    11   1     0.00   0.02   0.00    -0.01  -0.08  -0.01    -0.02  -0.24  -0.02
    12   1     0.00   0.00  -0.00     0.01   0.91   0.15    -0.00  -0.04  -0.01
    13   1     0.00  -0.00   0.00    -0.18   0.09  -0.15     0.01  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.06   0.03   0.25     0.00  -0.00  -0.01
    15   1    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    17   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    18   1     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.03  -0.00
    19   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.02   0.04  -0.08    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1     0.01  -0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.06  -0.28   0.84    -0.00  -0.00   0.00    -0.01  -0.02   0.07
    25   1     0.10  -0.32  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.00
    26   1     0.18   0.18   0.15     0.00   0.00   0.00     0.01   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3118.3071              3130.0821              3139.7881
 Red. masses --      1.0956                 1.0887                 1.0892
 Frc consts  --      6.2768                 6.2846                 6.3264
 IR Inten    --     17.1619                38.8053                28.9496
 RamAct Fr= 1--     40.3218               140.1237               178.3366
  Dep-P Fr= 1--      0.5794                 0.2057                 0.1395
  Dep-U Fr= 1--      0.7337                 0.3412                 0.2448
 Alpha2 Fr= 1--      0.1290                 1.8744                 2.8313
 Beta2  Fr= 1--      4.9307                 7.9680                 7.2757
 AlphaG Fr= 1--      0.0908                 0.9699                 0.7010
 Gamma2 Fr= 1--      0.9380                17.7088                -0.6598
 Delta2 Fr= 1--      0.6354                16.9230                -1.1493
 Raman1 Fr= 1--     161.287                560.495                713.347
 ROA1   Fr= 1--     110.384               2241.580               -100.116
 CID1   Fr= 1--       0.684                  3.999                 -0.140
 Raman2 Fr= 1--      59.169                 95.616                 87.308
 ROA2   Fr= 1--      17.430                289.626                 -6.640
 CID2   Fr= 1--       0.295                  3.029                 -0.076
 Raman3 Fr= 1--     118.338                191.233                174.616
 ROA3   Fr= 1--     110.384               2241.580               -100.116
 CID3   Fr= 1--       0.933                 11.722                 -0.573
 RC180  Fr= 1--       0.467                 -0.318                 -0.510
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.02
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.04   0.05  -0.05
     3   6    -0.00   0.00  -0.00    -0.00  -0.08  -0.01    -0.00  -0.01  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.08   0.05   0.20    -0.07   0.05   0.19
    10   1    -0.02  -0.02   0.03     0.07   0.09  -0.10    -0.47  -0.57   0.61
    11   1    -0.00  -0.01  -0.00     0.10   0.95   0.09     0.01   0.11   0.01
    12   1     0.00   0.00   0.00     0.00   0.07   0.01     0.00   0.01   0.00
    13   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    17   1    -0.01   0.01  -0.07    -0.00   0.00  -0.01     0.01  -0.01   0.06
    18   1     0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.11   0.01
    19   6    -0.09   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   1     0.91   0.02  -0.25     0.01  -0.00  -0.00    -0.03  -0.00   0.01
    22   1     0.09   0.14   0.14     0.00   0.00   0.00    -0.00  -0.01  -0.01
    23   1     0.07  -0.21   0.02    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    25   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   708.744041950.835902141.63006
           X            0.99999  -0.00154  -0.00488
           Y            0.00145   0.99984  -0.01775
           Z            0.00490   0.01774   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12221     0.04440     0.04044
 Rotational constants (GHZ):           2.54639     0.92511     0.84270
 Zero-point vibrational energy     616701.4 (Joules/Mol)
                                  147.39517 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.29   167.09   274.70   279.18   299.14
          (Kelvin)            340.27   406.46   448.08   488.08   507.65
                              591.38   639.48   694.69   752.03   759.91
                             1014.39  1060.47  1099.55  1134.57  1214.72
                             1269.46  1322.81  1399.16  1399.94  1407.67
                             1424.67  1450.59  1493.04  1501.94  1549.14
                             1567.15  1606.76  1667.32  1686.35  1703.64
                             1743.59  1790.01  1834.78  1911.39  1923.02
                             1938.98  1989.16  2013.11  2029.85  2034.58
                             2048.45  2070.09  2126.12  2134.60  2136.82
                             2143.91  2145.86  2154.70  2170.88  2178.67
                             2480.42  4310.72  4328.81  4337.01  4348.96
                             4366.63  4382.89  4385.47  4410.18  4415.50
                             4417.09  4442.04  4458.77  4477.92  4486.55
                             4503.49  4517.45
 
 Zero-point correction=                           0.234889 (Hartree/Particle)
 Thermal correction to Energy=                    0.245272
 Thermal correction to Enthalpy=                  0.246216
 Thermal correction to Gibbs Free Energy=         0.200187
 Sum of electronic and zero-point Energies=           -390.619872
 Sum of electronic and thermal Energies=              -390.609489
 Sum of electronic and thermal Enthalpies=            -390.608545
 Sum of electronic and thermal Free Energies=         -390.654574
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.911             41.085             96.878
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.472
 Vibrational            152.133             35.124             26.768
 Vibration     1          0.602              1.954              3.589
 Vibration     2          0.608              1.936              3.164
 Vibration     3          0.634              1.852              2.219
 Vibration     4          0.635              1.848              2.189
 Vibration     5          0.641              1.829              2.062
 Vibration     6          0.655              1.785              1.829
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.700              1.652              1.355
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.729              1.569              1.153
 Vibration    11          0.775              1.446              0.923
 Vibration    12          0.804              1.373              0.813
 Vibration    13          0.839              1.288              0.702
 Vibration    14          0.878              1.200              0.604
 Vibration    15          0.883              1.188              0.591
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.832967D-92        -92.079372       -212.020590
 Total V=0       0.916308D+16         15.962041         36.753959
 Vib (Bot)       0.216617-105       -105.664307       -243.301058
 Vib (Bot)    1  0.220149D+01          0.342718          0.789136
 Vib (Bot)    2  0.176121D+01          0.245810          0.565999
 Vib (Bot)    3  0.104792D+01          0.020329          0.046809
 Vib (Bot)    4  0.102991D+01          0.012801          0.029475
 Vib (Bot)    5  0.956072D+00         -0.019509         -0.044922
 Vib (Bot)    6  0.830400D+00         -0.080713         -0.185847
 Vib (Bot)    7  0.679664D+00         -0.167706         -0.386157
 Vib (Bot)    8  0.606670D+00         -0.217047         -0.499770
 Vib (Bot)    9  0.547627D+00         -0.261515         -0.602160
 Vib (Bot)   10  0.521937D+00         -0.282382         -0.650209
 Vib (Bot)   11  0.430103D+00         -0.366428         -0.843731
 Vib (Bot)   12  0.387560D+00         -0.411661         -0.947884
 Vib (Bot)   13  0.345544D+00         -0.461497         -1.062636
 Vib (Bot)   14  0.308051D+00         -0.511378         -1.177491
 Vib (Bot)   15  0.303317D+00         -0.518104         -1.192978
 Vib (V=0)       0.238291D+03          2.377107          5.473491
 Vib (V=0)    1  0.275756D+01          0.440525          1.014346
 Vib (V=0)    2  0.233081D+01          0.367506          0.846214
 Vib (V=0)    3  0.166109D+01          0.220394          0.507477
 Vib (V=0)    4  0.164487D+01          0.216131          0.497660
 Vib (V=0)    5  0.157892D+01          0.198361          0.456743
 Vib (V=0)    6  0.146931D+01          0.167114          0.384794
 Vib (V=0)    7  0.134377D+01          0.128324          0.295477
 Vib (V=0)    8  0.128616D+01          0.109295          0.251662
 Vib (V=0)    9  0.124155D+01          0.093964          0.216360
 Vib (V=0)   10  0.122278D+01          0.087350          0.201131
 Vib (V=0)   11  0.115954D+01          0.064284          0.148020
 Vib (V=0)   12  0.113262D+01          0.054083          0.124530
 Vib (V=0)   13  0.110778D+01          0.044455          0.102361
 Vib (V=0)   14  0.108728D+01          0.036341          0.083677
 Vib (V=0)   15  0.108481D+01          0.035353          0.081403
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.615989D+06          5.789573         13.330984
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009419    0.000042392    0.000016614
      2        6          -0.000008271   -0.000045218    0.000011817
      3        6          -0.000008151   -0.000023645   -0.000003769
      4        6           0.000023259   -0.000039236   -0.000015306
      5        6           0.000001215    0.000004473   -0.000000488
      6        6          -0.000008302    0.000028118    0.000015205
      7        6           0.000010443   -0.000015847    0.000011267
      8        6           0.000000566    0.000047186   -0.000035115
      9        1          -0.000006100   -0.000000759    0.000002017
     10        1          -0.000000278   -0.000006161    0.000004115
     11        1          -0.000002635   -0.000000318   -0.000001982
     12        1          -0.000002550   -0.000000918   -0.000000715
     13        1          -0.000000613   -0.000000403   -0.000001300
     14        1          -0.000001460   -0.000000924   -0.000001510
     15        1           0.000000612    0.000000928   -0.000000967
     16        1          -0.000004877    0.000003173    0.000002446
     17        1          -0.000000548    0.000018789   -0.000028775
     18        1          -0.000000305   -0.000000203    0.000000329
     19        6           0.000003365   -0.000002149    0.000000964
     20        6           0.000001621    0.000000333   -0.000004526
     21        1          -0.000006152   -0.000004528    0.000026932
     22        1           0.000000927    0.000001320   -0.000001423
     23        1          -0.000002689   -0.000000649   -0.000000877
     24        1           0.000004960   -0.000009572    0.000001830
     25        1          -0.000002957    0.000003185    0.000002444
     26        1          -0.000000500    0.000000635    0.000000775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047186 RMS     0.000013755
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151029D+03 -0.519608D+01 -0.301777D+01
      2  -0.519608D+01  0.114821D+03  0.131101D+01
      3  -0.301777D+01  0.131101D+01  0.102862D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.555404D+01  0.477923D+00  0.189711D+01
      2   0.295191D+02 -0.540736D+01  0.949600D+01
      3  -0.205585D+02  0.102482D+02  0.839036D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.422382D+02 -0.132924D+02  0.960363D+01
      2   0.519203D+01  0.112394D+02 -0.193043D+02
      3   0.370462D+02  0.205305D+01  0.970067D+01
      4  -0.373440D+02 -0.225587D+02 -0.854600D+01
      5   0.184372D+02 -0.113305D+02  0.331681D+02
      6   0.432531D+01 -0.290872D+01 -0.841696D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.263566D+02 -0.926355D+00 -0.130060D+01 -0.321618D+01 -0.182093D+01
      2  -0.926355D+00  0.557382D-01 -0.221837D+00 -0.182093D+01 -0.645508D+01
      3  -0.130060D+01 -0.221837D+00 -0.479696D+01  0.405075D+00 -0.119452D+01
                 6             7             8             9            10 
      1   0.405075D+00 -0.676819D+01 -0.268402D+01 -0.604399D+01 -0.349910D+01
      2  -0.119452D+01 -0.268402D+01  0.257364D+00  0.156361D+01  0.250663D+01
      3   0.823218D+00 -0.604399D+01  0.156361D+01  0.315362D+01  0.120310D-03
                11            12            13            14            15 
      1   0.250663D+01  0.120310D-03 -0.485314D-01 -0.266806D+01  0.722654D+00
      2  -0.148313D+01  0.298486D+01 -0.266806D+01  0.636591D+01  0.161984D+01
      3   0.298486D+01 -0.217200D+01  0.722654D+00  0.161984D+01  0.581496D+00
                16            17            18            19            20 
      1  -0.126735D+01  0.485826D+01 -0.991586D+00  0.298545D+02 -0.408873D+01
      2   0.485826D+01  0.251602D+01 -0.194710D-01 -0.408873D+01  0.540660D+01
      3  -0.991586D+00 -0.194710D-01  0.142312D+01 -0.257799D+01 -0.356129D+00
                21            22            23            24            25 
      1  -0.257799D+01 -0.752300D+01  0.503601D+01  0.854709D+00 -0.751121D+01
      2  -0.356129D+00  0.503601D+01  0.394104D+01  0.329808D+00 -0.982209D-01
      3   0.249635D+01  0.854709D+00  0.329808D+00 -0.296272D+01  0.389575D+01
                26            27            28            29            30 
      1  -0.982209D-01  0.389575D+01 -0.252216D+02  0.509980D+01  0.302597D+01
      2  -0.848299D+00 -0.302865D+01  0.509980D+01 -0.416779D+01 -0.731702D+00
      3  -0.302865D+01 -0.429474D+01  0.302597D+01 -0.731702D+00 -0.404918D+01
                31            32            33            34            35 
      1   0.116943D+02 -0.676332D+01 -0.684385D+00  0.844109D+01 -0.155609D+01
      2  -0.676332D+01  0.157228D+01 -0.205240D+00 -0.155609D+01  0.130413D+01
      3  -0.684385D+00 -0.205240D+00  0.264434D+01 -0.467427D+01  0.791837D+00
                36            37            38            39            40 
      1  -0.467427D+01  0.140580D+02 -0.316052D+01 -0.103619D+00 -0.374348D+01
      2   0.791837D+00 -0.316052D+01 -0.373778D+00 -0.531683D+00  0.170287D+01
      3   0.257263D+01 -0.103619D+00 -0.531683D+00  0.300232D+01 -0.502483D+00
                41            42            43            44            45 
      1   0.170287D+01 -0.502483D+00 -0.668359D+00 -0.188742D+00  0.716867D+01
      2   0.675114D+01  0.142522D+01 -0.188742D+00  0.180784D+01 -0.129616D+01
      3   0.142522D+01 -0.166325D+01  0.716867D+01 -0.129616D+01 -0.546927D+01
                46            47            48            49            50 
      1  -0.899029D+00 -0.381652D+01 -0.224871D+01 -0.580224D+01  0.554960D+01
      2  -0.381652D+01  0.184393D+01  0.602271D-01  0.554960D+01 -0.124512D+01
      3  -0.224871D+01  0.602271D-01  0.270834D+01 -0.452631D+00  0.107359D+01
                51            52            53            54            55 
      1  -0.452631D+00 -0.240425D+01 -0.961920D+00  0.504974D+01  0.272030D+01
      2   0.107359D+01 -0.961920D+00  0.277801D+01 -0.395593D+01  0.145247D+01
      3  -0.266463D+01  0.504974D+01 -0.395593D+01  0.227479D+01  0.116827D+01
                56            57            58            59            60 
      1   0.145247D+01  0.116827D+01  0.194558D+01 -0.103280D+01 -0.183900D+00
      2  -0.105045D+00  0.208286D+00 -0.103280D+01 -0.852767D+01 -0.228099D+00
      3   0.208286D+00 -0.956320D+00 -0.183900D+00 -0.228099D+00  0.142327D+01
                61            62            63            64            65 
      1   0.191688D+01  0.363384D+00 -0.113605D+01  0.161521D+02 -0.126265D+01
      2   0.363384D+00  0.684371D+00  0.410197D+00 -0.126265D+01  0.255546D+01
      3  -0.113605D+01  0.410197D+00 -0.556295D+01  0.493132D+01 -0.711664D+00
                66            67            68            69            70 
      1   0.493132D+01  0.242089D+01  0.664386D+01  0.875162D+00  0.146893D+02
      2  -0.711664D+00  0.664386D+01 -0.455615D+01  0.111349D+01 -0.168663D+00
      3   0.367009D+01  0.875162D+00  0.111349D+01  0.943889D+00  0.489596D+01
                71            72            73            74            75 
      1  -0.168663D+00  0.489596D+01  0.476853D+01 -0.109294D+01 -0.211061D+01
      2   0.694221D+00  0.121744D+01 -0.109294D+01  0.366296D+00  0.559586D+00
      3   0.121744D+01 -0.128265D+01 -0.211061D+01  0.559586D+00  0.270850D+01
                76            77            78            79            80 
      1  -0.319422D+01  0.261854D+00  0.300192D+00 -0.242815D+01  0.661588D+00
      2   0.261854D+00 -0.727176D+00 -0.144489D+01  0.661588D+00 -0.178831D+01
      3   0.300192D+00 -0.144489D+01 -0.238533D+01  0.338262D+01 -0.272270D+01
                81            82            83            84            85 
      1   0.338262D+01  0.295753D+01  0.157995D+01 -0.129253D+01  0.938490D+00
      2  -0.272270D+01  0.157995D+01  0.187532D+01 -0.159875D+01  0.151852D+01
      3  -0.860605D+01 -0.129253D+01 -0.159875D+01  0.192534D+01 -0.138626D+01
                86            87            88            89            90 
      1   0.151852D+01 -0.138626D+01 -0.211966D+01 -0.190804D+01  0.154024D+01
      2   0.418745D+01 -0.242910D+01 -0.190804D+01 -0.271601D+01  0.220226D+01
      3  -0.242910D+01  0.205606D+01  0.154024D+01  0.220226D+01 -0.281385D+01
                91            92            93            94            95 
      1   0.210733D+00 -0.153902D+01 -0.638758D+00 -0.172758D+01 -0.151530D+01
      2  -0.153902D+01 -0.109237D+01  0.115661D+00 -0.151530D+01 -0.107439D+02
      3  -0.638758D+00  0.115661D+00  0.267499D+00 -0.215534D-01 -0.180544D+01
                96            97            98            99           100 
      1  -0.215534D-01 -0.233000D+01  0.262204D+00 -0.675711D+00 -0.582177D+00
      2  -0.180544D+01  0.262204D+00 -0.859639D+00 -0.522050D+00 -0.652181D+00
      3  -0.102888D+01 -0.675711D+00 -0.522050D+00 -0.809377D-01 -0.358516D+00
               101           102           103           104           105 
      1  -0.652181D+00 -0.358516D+00 -0.290444D+01 -0.344929D+01 -0.845255D-01
      2  -0.297932D+00 -0.473320D-01 -0.344929D+01 -0.862743D+01 -0.494977D+00
      3  -0.473320D-01 -0.213835D+00 -0.845255D-01 -0.494977D+00 -0.102238D+01
               106           107           108           109           110 
      1  -0.897451D+00 -0.461978D+00 -0.820365D+00 -0.121723D+02  0.132089D+01
      2  -0.461978D+00 -0.107643D+01 -0.931135D+00  0.132089D+01 -0.103583D+01
      3  -0.820365D+00 -0.931135D+00 -0.749950D-02 -0.232593D+01  0.664540D+00
               111           112           113           114           115 
      1  -0.232593D+01  0.550301D+01 -0.166658D+01  0.733817D+00 -0.557032D+01
      2   0.664540D+00 -0.166658D+01  0.790935D+00 -0.923648D+00  0.651426D+00
      3  -0.171893D+01  0.733817D+00 -0.923648D+00  0.102843D+01 -0.347589D+01
               116           117           118           119           120 
      1   0.651426D+00 -0.347589D+01 -0.527964D+01  0.870462D-01  0.213389D+01
      2  -0.114651D+01  0.777366D+00  0.870462D-01 -0.118582D+00  0.819920D-01
      3   0.777366D+00 -0.119512D+01  0.213389D+01  0.819920D-01 -0.197942D+01
               121           122           123           124           125 
      1   0.257065D+01 -0.914525D+00 -0.733927D+00  0.647593D+01  0.697551D+00
      2  -0.914525D+00 -0.239004D+00  0.889092D+00  0.697551D+00  0.977206D+00
      3  -0.733927D+00  0.889092D+00  0.110104D+01 -0.571860D+01  0.347194D+00
               126           127           128           129           130 
      1  -0.571860D+01 -0.555373D+01  0.269657D+01  0.264432D+01  0.247247D+01
      2   0.347194D+00  0.269657D+01 -0.230362D+01 -0.109178D+01 -0.217439D+01
      3   0.773738D+01  0.264432D+01 -0.109178D+01 -0.181578D+01 -0.921425D+00
               131           132           133           134           135 
      1  -0.217439D+01 -0.921425D+00  0.415891D+01 -0.155935D+01 -0.317965D+01
      2   0.191818D+01  0.119705D+01 -0.155935D+01  0.164696D+01  0.230741D+01
      3   0.119705D+01  0.125675D+01 -0.317965D+01  0.230741D+01  0.261453D+01
               136           137           138           139           140 
      1  -0.245375D+01  0.223879D+01 -0.112332D+01  0.207307D+01 -0.244742D+01
      2   0.223879D+01 -0.181737D+01  0.754332D+00 -0.244742D+01  0.408606D+01
      3  -0.112332D+01  0.754332D+00 -0.125116D+01  0.115460D+01 -0.230076D+01
               141           142           143           144           145 
      1   0.115460D+01 -0.294177D+01  0.248523D+01 -0.333897D+01 -0.619339D-01
      2  -0.230076D+01  0.248523D+01 -0.491095D+01  0.350712D+01 -0.145396D+00
      3   0.186188D+01 -0.333897D+01  0.350712D+01 -0.488036D+01  0.634225D+00
               146           147           148           149           150 
      1  -0.145396D+00  0.634225D+00 -0.732544D+00  0.494404D+00 -0.211044D+00
      2   0.217751D+00  0.179161D-01  0.494404D+00  0.404226D+00  0.950416D+00
      3   0.179161D-01  0.536197D+00 -0.211044D+00  0.950416D+00 -0.680545D+00
               151           152           153           154           155 
      1   0.150823D+01 -0.414765D+00  0.624607D+00  0.303834D+00  0.119873D+01
      2  -0.414765D+00  0.147343D+01  0.119041D+01  0.119873D+01  0.517324D+00
      3   0.624607D+00  0.119041D+01  0.723278D+01 -0.110448D+00  0.949876D-01
               156           157           158           159           160 
      1  -0.110448D+00  0.105919D+01  0.390600D+00  0.804589D-01 -0.536195D+00
      2   0.949876D-01  0.390600D+00  0.129700D+02  0.602253D+00  0.722874D-01
      3   0.212198D+00  0.804589D-01  0.602253D+00  0.746124D+00  0.113957D+00
               161           162           163           164           165 
      1   0.722874D-01  0.113957D+00  0.415271D+01  0.376225D+00 -0.355715D+01
      2  -0.118700D+01  0.121151D+01  0.376225D+00 -0.348963D+01 -0.613382D+00
      3   0.121151D+01  0.371991D+00 -0.355715D+01 -0.613382D+00 -0.204130D+01
               166           167           168           169           170 
      1  -0.265389D+00 -0.507390D+01 -0.893379D+00 -0.439116D+01 -0.663199D+00
      2  -0.507390D+01  0.600622D+01 -0.363561D+01 -0.663199D+00 -0.186176D+01
      3  -0.893379D+00 -0.363561D+01 -0.364521D+01 -0.306748D+01 -0.288304D+01
               171           172           173           174           175 
      1  -0.306748D+01 -0.398217D+01 -0.708729D+00 -0.383671D+01 -0.157053D+01
      2  -0.288304D+01 -0.708729D+00 -0.393258D+01 -0.105662D+01 -0.691712D+01
      3  -0.467348D+00 -0.383671D+01 -0.105662D+01 -0.111447D+01 -0.158861D+01
               176           177           178           179           180 
      1  -0.691712D+01 -0.158861D+01 -0.485448D+01 -0.158387D+01 -0.275362D+01
      2   0.554797D+01 -0.806706D-01 -0.158387D+01 -0.753743D+00 -0.299936D+01
      3  -0.806706D-01 -0.297637D+01 -0.275362D+01 -0.299936D+01  0.506295D+01
               181           182           183           184           185 
      1  -0.610143D+01 -0.280647D+00  0.124954D+01 -0.458102D+00 -0.111346D+00
      2  -0.280647D+00 -0.699472D+00  0.664127D+00 -0.111346D+00 -0.756911D+00
      3   0.124954D+01  0.664127D+00 -0.261386D+01  0.297510D+00  0.694197D+00
               186           187           188           189           190 
      1   0.297510D+00  0.975719D+00  0.354936D+00 -0.125493D+01  0.301075D+01
      2   0.694197D+00  0.354936D+00  0.608200D+00  0.901277D-01  0.791004D+00
      3   0.141520D+00 -0.125493D+01  0.901277D-01  0.144600D+01  0.294882D+01
               191           192           193           194           195 
      1   0.791004D+00  0.294882D+01  0.215726D+01  0.176844D+01  0.206530D+01
      2   0.133561D+01  0.696987D+00  0.176844D+01  0.125006D+01  0.203501D+01
      3   0.696987D+00  0.332785D+01  0.206530D+01  0.203501D+01  0.395869D+01
               196           197           198           199           200 
      1   0.194952D+01  0.862803D+00  0.306137D+01  0.174231D+01 -0.197908D+01
      2   0.862803D+00  0.124618D+01  0.166339D+01 -0.197908D+01  0.251921D+01
      3   0.306137D+01  0.166339D+01  0.568343D+01  0.137785D+01 -0.868819D+00
               201           202           203           204           205 
      1   0.137785D+01 -0.244999D+01  0.355894D+01 -0.119495D+01  0.422424D+00
      2  -0.868819D+00  0.355894D+01 -0.812764D+01  0.317145D+01 -0.229093D+00
      3   0.137216D+01 -0.119495D+01  0.317145D+01 -0.211069D+01  0.896540D+00
               206           207           208           209           210 
      1  -0.229093D+00  0.896540D+00  0.488954D+00  0.488469D+00 -0.827468D+00
      2   0.898985D+00 -0.100503D+01  0.488469D+00  0.433531D+00 -0.390544D-01
      3  -0.100503D+01  0.983902D+00 -0.827468D+00 -0.390544D-01  0.794950D+00
               211           212           213           214           215 
      1   0.124899D+01  0.110988D+01 -0.546628D+00 -0.281668D+01 -0.228763D+00
      2   0.110988D+01  0.355078D+00 -0.110699D+01 -0.228763D+00 -0.124991D+01
      3  -0.546628D+00 -0.110699D+01  0.201971D+01  0.285866D+01  0.156589D+01
               216           217           218           219           220 
      1   0.285866D+01  0.371433D+01 -0.223012D+01  0.150181D+00 -0.559602D+01
      2   0.156589D+01 -0.223012D+01  0.222370D+01  0.148829D+00  0.530390D+01
      3  -0.725069D+01  0.150181D+00  0.148829D+00  0.314385D+00  0.663435D+00
               221           222           223           224           225 
      1   0.530390D+01  0.663435D+00  0.106690D+01  0.428878D-01  0.109978D+01
      2  -0.766235D+01 -0.268830D+00  0.428878D-01  0.175266D+00 -0.668905D+00
      3  -0.268830D+00 -0.968596D+00  0.109978D+01 -0.668905D+00 -0.337428D+00
               226           227           228           229           230 
      1   0.802888D+01  0.204631D+01  0.214785D+01  0.514829D+01  0.321612D+01
      2   0.204631D+01  0.156667D+01  0.816425D+00  0.321612D+01  0.152194D+01
      3   0.214785D+01  0.816425D+00  0.138702D+01  0.125279D+01  0.101735D+01
               231           232           233           234 
      1   0.125279D+01  0.590031D+01  0.139416D+01  0.254324D+01
      2   0.101735D+01  0.139416D+01  0.133039D+01  0.118667D+01
      3   0.152219D+01  0.254324D+01  0.118667D+01  0.169176D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.384275D+01 -0.134500D+01 -0.263731D+01 -0.181995D+01  0.789809D+01
      2  -0.365823D+02 -0.302328D+00 -0.487856D+01 -0.363026D+01 -0.422281D+01
      3   0.369259D+02 -0.514895D+01  0.214025D+01  0.185585D+02  0.917198D+01
                 6             7             8             9            10 
      1   0.106117D+01  0.132895D+01  0.367821D+01  0.202646D+01  0.229221D+01
      2  -0.378262D+00 -0.254262D+02 -0.241745D+01 -0.529161D+01 -0.353839D+01
      3   0.307786D+01  0.145336D+02 -0.120159D+01  0.607063D+01 -0.826595D+01
                11            12            13            14            15 
      1  -0.333691D+01 -0.487415D+00 -0.184838D+00 -0.876600D+01 -0.499743D+01
      2   0.675389D+01  0.984106D+00 -0.999520D+00  0.121197D+01  0.162341D+01
      3  -0.170944D+01 -0.632984D+01  0.138965D+02 -0.150804D+02  0.670710D-01
                16            17            18            19            20 
      1  -0.136243D+01  0.289584D+01 -0.258435D+01 -0.306744D+00  0.537366D+00
      2  -0.494894D+01  0.679669D+01  0.196298D+01  0.289036D+02 -0.247906D+01
      3  -0.145765D+02  0.124355D+01 -0.277600D+01 -0.521650D+02  0.143835D+02
                21            22            23            24            25 
      1   0.443022D+01  0.273868D+01 -0.454597D+01 -0.372017D+01  0.101061D+02
      2  -0.495696D+01 -0.920147D+01  0.504186D+01  0.346097D+01 -0.266449D+02
      3   0.300280D+01  0.264902D+02 -0.706928D+01 -0.329902D+01  0.137061D+02
                26            27            28            29            30 
      1   0.906490D+00 -0.349901D+01  0.106660D+01  0.467464D+00 -0.356151D+01
      2   0.288090D+01  0.804989D+01 -0.284907D+02  0.309973D+01  0.924454D+01
      3  -0.486552D+01 -0.102528D+02  0.465317D+02 -0.183831D+02 -0.611740D+01
                31            32            33            34            35 
      1   0.109840D+01  0.145244D+01  0.145610D+01 -0.840670D+01  0.107111D+02
      2   0.133130D+02 -0.318098D+01 -0.431382D+01  0.303979D+01 -0.242470D+01
      3  -0.205392D+02  0.878616D+01 -0.178625D+01 -0.176852D+02  0.253130D+01
                36            37            38            39            40 
      1   0.373801D+01 -0.127919D+01  0.230254D+00  0.122592D+01  0.102448D+01
      2  -0.654440D+01 -0.207821D+01  0.281703D+01 -0.106243D+02  0.398011D+01
      3   0.770450D+01 -0.265381D+02  0.112638D+01 -0.158659D+01  0.146818D+02
                41            42            43            44            45 
      1   0.327412D+01 -0.287664D+01  0.633026D+01  0.510080D+00 -0.541454D+01
      2  -0.594351D+01  0.600331D+01 -0.383201D+02  0.539572D+01  0.233662D+02
      3   0.245411D+02  0.591295D+01 -0.263358D+01  0.749342D+01 -0.123695D+02
                46            47            48            49            50 
      1   0.379338D+01  0.627289D+00 -0.477761D+01  0.273007D+01 -0.261490D+01
      2   0.759771D+01 -0.184832D+01 -0.466350D+01 -0.182567D+01 -0.784025D+00
      3  -0.105757D+02 -0.675475D+01 -0.527731D+01  0.106927D+02 -0.531404D+01
                51            52            53            54            55 
      1   0.338897D+01 -0.130864D+02  0.134340D+02 -0.258353D+01 -0.217767D+01
      2   0.559709D+01 -0.159729D+02  0.933240D+01 -0.288346D+01 -0.393893D+01
      3   0.340924D+01 -0.796533D+01  0.931270D+01 -0.323088D+01  0.115595D+02
                56            57            58            59            60 
      1  -0.130052D+01  0.242999D+01  0.506902D+00 -0.777850D+01 -0.539005D+01
      2  -0.409115D+00  0.129716D+01 -0.275548D+01  0.155769D+01 -0.668880D+00
      3   0.650335D+01  0.470042D+01  0.123290D+02 -0.672162D+01  0.492520D+00
                61            62            63            64            65 
      1   0.307143D+01  0.351565D+01  0.134642D+02 -0.120299D+01  0.312302D+01
      2  -0.122360D+01 -0.121027D+01  0.317915D+01  0.321249D+02 -0.184393D+01
      3   0.454104D+01  0.220510D+00 -0.105657D+01 -0.107698D+02 -0.124540D+02
                66            67            68            69            70 
      1   0.252276D+01 -0.517675D+01  0.257326D+01 -0.373278D+01 -0.276450D+01
      2   0.134819D+02  0.745159D+01  0.471665D+01  0.412781D+01  0.129139D+02
      3  -0.854423D+00 -0.193876D+02  0.108337D+02 -0.273138D+01 -0.124022D+02
                71            72            73            74            75 
      1   0.631759D+01  0.361703D+00 -0.198249D+01 -0.383288D+00  0.157421D+01
      2   0.511062D+01 -0.786807D+00  0.555675D+01 -0.917827D+00  0.124476D+01
      3  -0.235707D+01 -0.716800D+01 -0.468270D+01 -0.136119D+01  0.100177D+01
                76            77            78            79            80 
      1   0.509307D+00  0.187921D-01 -0.977779D+00  0.208191D+01  0.379141D+01
      2  -0.413000D+01 -0.103233D+01 -0.168065D+01 -0.285607D+01 -0.942376D+00
      3   0.842178D+01 -0.712713D+00  0.328572D+00  0.127703D+01  0.186154D+01
                81            82            83            84            85 
      1  -0.258437D+01  0.370825D+00  0.487194D-01 -0.193226D+01  0.423852D+00
      2  -0.257514D+01  0.241171D+01 -0.897855D+00  0.244951D+01 -0.586949D+00
      3  -0.945046D+00  0.821905D+00 -0.252514D+01  0.275591D+00  0.392277D+01
                86            87            88            89            90 
      1  -0.134211D+01 -0.304510D+01 -0.901670D+00  0.711868D+00  0.274525D+01
      2  -0.123095D+01  0.125840D+01 -0.226221D+01 -0.454726D-01 -0.212412D+01
      3  -0.417065D+01  0.133487D+01 -0.398272D+00  0.207021D+01 -0.989206D-01
                91            92            93            94            95 
      1  -0.763266D+00  0.124772D+01 -0.390029D+00  0.123677D+01  0.659316D+01
      2   0.494504D+00 -0.126827D+01 -0.773542D-01 -0.181043D+01 -0.930344D+00
      3  -0.346406D+00 -0.242889D+00  0.945532D+00  0.459916D+01 -0.794927D+01
                96            97            98            99           100 
      1  -0.423533D+01 -0.383653D+01  0.111563D+01  0.962201D+00 -0.746604D+00
      2   0.152677D+01 -0.242371D+01  0.152254D+00 -0.931217D+00  0.131506D+01
      3  -0.109753D+01  0.640574D+01 -0.913638D+00  0.381247D+00 -0.274348D+01
               101           102           103           104           105 
      1  -0.544554D+00 -0.135589D+00 -0.567644D+00 -0.226377D+01 -0.418766D+01
      2   0.380893D+00  0.145318D+01  0.261690D+00  0.179083D+01  0.426005D+01
      3  -0.221666D+01  0.353853D+00 -0.523263D+01 -0.282402D+02 -0.200846D+01
               106           107           108           109           110 
      1  -0.200706D+00 -0.231359D+00 -0.475223D+00 -0.820208D-01  0.960516D+00
      2   0.154566D+01  0.243997D+01 -0.592762D-01  0.926851D+01 -0.237515D+01
      3  -0.331696D+00 -0.348920D+01 -0.188484D+01  0.165664D+02 -0.809676D+01
               111           112           113           114           115 
      1  -0.977544D+00  0.121916D+00 -0.990649D+00 -0.196679D+00 -0.126296D+01
      2   0.938115D+01 -0.402945D+01  0.329350D+01 -0.445239D+01  0.129206D+02
      3   0.473623D+01 -0.940530D+01  0.451557D+01 -0.401652D+01  0.729676D+01
               116           117           118           119           120 
      1   0.159413D+01 -0.637892D+00  0.235105D+01 -0.648750D+00 -0.187088D+01
      2  -0.307634D+01  0.486924D+01 -0.759751D+01 -0.746129D+00  0.862534D+01
      3  -0.612653D+01  0.589929D+01  0.688594D+01 -0.216204D+01 -0.231967D+01
               121           122           123           124           125 
      1  -0.960024D+00  0.105541D+01  0.534228D+00 -0.370488D+01  0.333985D+01
      2   0.245938D+01 -0.284527D+01 -0.433782D+01  0.205679D+02 -0.119502D+01
      3  -0.321426D+01  0.406377D-01  0.321299D+01 -0.470758D+01  0.464746D+01
               126           127           128           129           130 
      1   0.727719D+01 -0.477758D+01  0.118281D+01  0.408590D+01  0.115407D+01
      2  -0.302201D+02 -0.547744D+01  0.330418D+01  0.620486D+01  0.212081D+01
      3   0.713666D+01 -0.381993D+01 -0.480252D+01  0.140848D+01  0.103193D+01
               131           132           133           134           135 
      1  -0.152348D+01 -0.310230D+01  0.557047D+01 -0.176954D+01 -0.469202D+01
      2  -0.282051D+01 -0.356912D+01  0.478807D+01 -0.532921D+01 -0.688043D+01
      3   0.681873D+00  0.741133D+00  0.545671D+01  0.202237D+01  0.260927D+00
               136           137           138           139           140 
      1   0.183992D+01 -0.131295D+01  0.238722D+01 -0.156851D+01  0.247816D+01
      2   0.129362D+01 -0.754004D+00  0.391413D+01 -0.397268D+00  0.339810D+01
      3   0.147915D+01 -0.187985D+01  0.493257D+00 -0.959694D+00  0.780152D+01
               141           142           143           144           145 
      1  -0.496656D+01  0.677728D+01 -0.512159D+01  0.865638D+01 -0.248724D+01
      2  -0.412283D+01  0.459605D+01 -0.655064D+01  0.947508D+01 -0.454535D+00
      3  -0.322187D+01  0.975506D+00 -0.104202D+02  0.373095D+01 -0.471244D+00
               146           147           148           149           150 
      1   0.109251D+01 -0.176816D+01  0.126162D+01 -0.169458D+01  0.204374D+01
      2   0.339499D+00 -0.507378D-01  0.190628D+01 -0.162887D+01  0.926840D+00
      3  -0.282205D+01  0.165821D+01 -0.202421D+01  0.773281D+00  0.167984D+00
               151           152           153           154           155 
      1  -0.217790D+01  0.196213D+01 -0.163345D+02  0.941545D+00  0.373289D+00
      2  -0.437205D+01  0.325968D-01 -0.386907D+01  0.851888D+00 -0.640593D+00
      3   0.478134D+01 -0.798875D+00  0.114093D+01  0.656134D+00  0.122537D+01
               156           157           158           159           160 
      1  -0.593123D+00 -0.173970D+00  0.479852D+01 -0.478708D+01 -0.679287D+00
      2   0.987638D+00 -0.147534D+01 -0.987697D+00 -0.320004D+00 -0.656054D+00
      3  -0.810751D+00  0.776660D+01  0.618054D+01  0.281680D+00 -0.137231D+01
               161           162           163           164           165 
      1  -0.171991D+01 -0.343624D+00 -0.145409D+01 -0.750078D+01 -0.282915D+01
      2  -0.352690D+00 -0.619242D+00 -0.183701D+02 -0.276306D+01  0.732590D+01
      3  -0.103784D+01  0.125517D+01 -0.429691D+01  0.391799D+01  0.446116D+01
               166           167           168           169           170 
      1  -0.116336D+02  0.907686D+01 -0.131786D+02 -0.375915D+01 -0.578008D+01
      2  -0.416269D+01  0.872659D+00 -0.444092D+01 -0.742575D+00 -0.368155D+01
      3   0.117088D+02 -0.798848D+01  0.718045D+01  0.526912D+01  0.474998D+01
               171           172           173           174           175 
      1  -0.717987D+01 -0.126812D+01  0.107564D+01 -0.574108D+00  0.290500D+01
      2   0.101270D+01 -0.164349D+02 -0.411542D+01 -0.676334D+01 -0.618928D+01
      3   0.764224D+01  0.598492D+01  0.154407D+02  0.522550D+01  0.328856D+02
               176           177           178           179           180 
      1  -0.290209D+01 -0.259444D+01 -0.461387D+00  0.107908D+01  0.342065D+01
      2  -0.498218D+01 -0.121395D+02 -0.184488D+02 -0.116248D+02  0.179880D+02
      3  -0.185914D+02  0.102867D+01  0.824309D+01  0.229275D+01  0.123683D+02
               181           182           183           184           185 
      1  -0.759664D-01 -0.232494D+01 -0.147401D+01 -0.135730D+01  0.110187D+00
      2   0.208869D+02  0.100560D+01 -0.407384D+01  0.115499D+01  0.177390D+01
      3   0.713845D+01 -0.660301D+00 -0.142249D+01  0.231352D+01  0.827425D+00
               186           187           188           189           190 
      1   0.725074D-01 -0.125561D+01  0.218293D+01  0.822647D+00  0.415738D+01
      2  -0.254328D+00 -0.579312D+01 -0.514882D+00  0.396063D+01  0.977222D+00
      3  -0.720128D+00 -0.752164D+00  0.109768D-01  0.115434D+01 -0.324011D+01
               191           192           193           194           195 
      1   0.451799D+01  0.387483D+01  0.503436D+01  0.560157D+01  0.571384D+01
      2  -0.224288D+00  0.353396D+01 -0.768507D+00  0.160967D+01  0.516073D+01
      3  -0.412375D+01 -0.351384D+01 -0.339255D+01 -0.416672D+01 -0.513683D+01
               196           197           198           199           200 
      1   0.458979D+01  0.625289D+01  0.769553D+01 -0.255770D+01  0.462564D+01
      2  -0.208413D+01  0.133396D+01  0.643995D+01 -0.363738D+00  0.112478D+01
      3  -0.195281D+01 -0.405227D+01 -0.499454D+01  0.185649D+01 -0.444169D+01
               201           202           203           204           205 
      1   0.937523D+00  0.612115D+01 -0.135681D+02  0.883924D+00  0.409578D-01
      2   0.196422D+01  0.328244D+01  0.898538D+00 -0.344590D+01 -0.645416D+00
      3   0.961152D+00 -0.133868D+01  0.122745D+02 -0.475524D+01 -0.560653D+00
               206           207           208           209           210 
      1   0.238480D+01 -0.840750D+00 -0.602179D+00 -0.430422D+00  0.360102D+00
      2  -0.624784D+00  0.722629D+00 -0.322253D+01  0.556655D-01  0.354447D+01
      3  -0.113571D+01  0.813187D+00 -0.176904D+01 -0.206993D+01  0.707915D+00
               211           212           213           214           215 
      1  -0.404556D+00 -0.114997D+01  0.226583D+00  0.803123D+00  0.412173D+01
      2  -0.402265D+00 -0.273034D+01  0.712465D+01  0.434492D+01  0.565414D+01
      3  -0.262381D+01 -0.181934D+01  0.384409D+01  0.117277D+01  0.533747D+01
               216           217           218           219           220 
      1  -0.273129D+01  0.938749D+00 -0.104444D+01  0.882769D+00 -0.123484D+01
      2  -0.241268D+02  0.217652D+01 -0.562450D+00  0.297974D+01 -0.268356D+00
      3  -0.678336D+01  0.621870D+01 -0.905035D+01 -0.686894D+00 -0.137158D+02
               221           222           223           224           225 
      1   0.336981D+01 -0.335690D+01  0.294535D+00  0.458629D+00  0.824317D-01
      2   0.193066D+01 -0.453186D+01  0.274388D+01 -0.165813D+01 -0.789806D+00
      3   0.266137D+02  0.424118D+00 -0.132058D+01 -0.613149D+00  0.150553D+01
               226           227           228           229           230 
      1   0.169440D+00  0.623157D-01 -0.702742D+00 -0.276142D+00  0.185257D+00
      2   0.111820D+02  0.392101D+01  0.890349D+01  0.670265D+01  0.522379D+01
      3  -0.103419D+02 -0.910010D+01 -0.380832D+01 -0.119426D+02 -0.781913D+01
               231           232           233           234 
      1  -0.146700D+01  0.266461D+00  0.106660D+01 -0.696285D+00
      2   0.758622D+01  0.983750D+01  0.512029D+01  0.818374D+01
      3  -0.423970D+01 -0.699981D+01 -0.678259D+01 -0.550332D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.175483D+01  0.144847D+01 -0.864356D+01  0.225933D+01 -0.281152D+01
      2   0.135631D+02 -0.357606D+01 -0.660546D+00 -0.111675D+00  0.607924D+01
      3  -0.153180D+02  0.212759D+01  0.930411D+01 -0.214765D+01 -0.326772D+01
      4   0.148750D+02  0.313592D+01 -0.405180D+01 -0.181727D+01  0.457030D+00
      5   0.460834D+00 -0.498293D+01 -0.129565D+02  0.320490D+01 -0.151426D+01
      6  -0.160970D+01 -0.167848D+01  0.679859D+00  0.829161D-01  0.768099D+01
                 6             7             8             9            10 
      1   0.597868D+01 -0.293349D+02 -0.512740D-01  0.864973D+01 -0.725677D+01
      2  -0.279882D-01  0.299813D+01  0.338139D+01  0.931554D+01  0.436499D+01
      3  -0.595070D+01  0.263367D+02 -0.333012D+01 -0.179653D+02  0.289178D+01
      4  -0.122796D+01 -0.920339D+01  0.495655D+01  0.787497D+01  0.588210D+01
      5   0.238885D+01 -0.190262D+02  0.546233D+01  0.143703D+02  0.890888D-02
      6  -0.261399D+01  0.860555D+01 -0.183591D+01 -0.103981D+02  0.575491D+01
                11            12            13            14            15 
      1   0.724931D+01 -0.443794D+01  0.892320D+01 -0.125584D+02 -0.241372D+01
      2   0.182138D+01  0.516591D+01 -0.351087D+01  0.128016D+02  0.478067D+01
      3  -0.907070D+01 -0.727973D+00 -0.541233D+01 -0.243213D+00 -0.236695D+01
      4  -0.662185D+01  0.919496D+01 -0.997874D+01  0.143335D+01  0.755868D+01
      5   0.878715D+01 -0.515245D+01  0.143225D+01  0.502892D+01 -0.384473D+01
      6   0.409921D+01 -0.559109D+01  0.721442D+01  0.535896D+01 -0.402553D+01
                16            17            18            19            20 
      1  -0.704362D+01  0.750791D+01 -0.201993D+01 -0.534611D+02  0.139140D+02
      2   0.455888D+01 -0.165922D+01  0.141746D+01  0.188151D+02 -0.104639D+02
      3   0.248474D+01 -0.584869D+01  0.602474D+00  0.346460D+02 -0.345014D+01
      4   0.154559D+02  0.354328D+01 -0.454154D+01 -0.152761D+02 -0.110223D+02
      5  -0.638967D+01 -0.350998D+01  0.456634D+01 -0.188952D+01  0.212112D+01
      6  -0.575108D+01 -0.613251D+01  0.878814D+01  0.524328D+01 -0.184789D+01
                21            22            23            24            25 
      1   0.509294D+01  0.306273D+02  0.581988D+01 -0.370963D+01  0.202222D+02
      2   0.452737D-01 -0.251232D+02 -0.230997D+02 -0.383497D+01 -0.847258D+00
      3  -0.513821D+01 -0.550418D+01  0.172798D+02  0.754461D+01 -0.193749D+02
      4   0.258839D+01 -0.232534D+01 -0.124369D+02 -0.142998D+01  0.354293D+01
      5  -0.423999D+01 -0.674682D+01 -0.310989D+01  0.451144D+01  0.453555D+01
      6  -0.543269D+01 -0.561434D+01 -0.858459D+01  0.670560D+01 -0.121326D+02
                26            27            28            29            30 
      1  -0.355353D+01 -0.236135D+02  0.746546D+02 -0.251855D+02 -0.152002D+02
      2  -0.633781D+01 -0.199616D+00 -0.392699D+02  0.119604D+02  0.389666D+01
      3   0.989134D+01  0.238131D+02 -0.353847D+02  0.132251D+02  0.113036D+02
      4   0.577722D+01  0.228817D+01  0.193368D+01  0.729274D+01  0.127929D+01
      5   0.341856D+01  0.101950D+02 -0.219487D+01  0.354670D+01  0.144967D+02
      6   0.135046D+02  0.127610D+02 -0.433319D+01  0.797070D+01  0.586158D+01
                31            32            33            34            35 
      1  -0.264130D+02  0.726285D+01  0.365153D+01 -0.169434D+02  0.558512D+01
      2   0.106388D+02  0.928685D+01  0.135459D+01  0.574576D+01 -0.139684D+01
      3   0.157742D+02 -0.165497D+02 -0.500611D+01  0.111976D+02 -0.418828D+01
      4   0.162879D+02  0.162175D+01  0.575020D+00  0.171911D+01  0.589813D+00
      5  -0.125371D+01  0.441346D+01 -0.692229D+01  0.234484D+02 -0.403454D+01
      6   0.674548D+01 -0.656434D+01 -0.312925D+01  0.596093D+01  0.259329D+01
                36            37            38            39            40 
      1   0.106275D+02 -0.722149D+02  0.239625D+02 -0.113214D+02  0.353748D+02
      2  -0.112918D+02  0.444002D+02 -0.131765D+02  0.251555D+01 -0.260583D+02
      3   0.664224D+00  0.278147D+02 -0.107860D+02  0.880584D+01 -0.931655D+01
      4  -0.420394D+00  0.110349D+02  0.285511D+01  0.455455D+01 -0.722336D+01
      5  -0.590632D+01 -0.150255D+02  0.453381D+01 -0.239757D+02  0.610646D+01
      6  -0.624276D+01  0.135446D+01 -0.720024D-01 -0.266905D+01 -0.106670D+01
                41            42            43            44            45 
      1   0.673124D+01  0.814290D+01 -0.198232D+02  0.732559D+01 -0.322368D+02
      2  -0.217696D+02 -0.536436D+01 -0.147232D+00 -0.632019D+01  0.301118D+02
      3   0.150384D+02 -0.277853D+01  0.199705D+02 -0.100539D+01  0.212494D+01
      4  -0.413086D+02 -0.869011D+01  0.343586D+01 -0.983029D+01  0.308223D+01
      5  -0.108830D+02  0.116208D+02 -0.590063D+02  0.104924D+02  0.403149D+02
      6  -0.270657D+01  0.279390D+01 -0.790098D+01  0.171828D+01  0.753113D+01
                46            47            48            49            50 
      1   0.882937D+01  0.851657D+01  0.975465D+01  0.658393D+01 -0.119249D+02
      2  -0.529748D+01 -0.415043D+01 -0.459761D+01 -0.285703D+00  0.764364D+01
      3  -0.353190D+01 -0.436613D+01 -0.515704D+01 -0.629823D+01  0.428127D+01
      4   0.174428D+02 -0.153356D+02 -0.729247D+01 -0.284340D+02  0.889812D+01
      5   0.125783D+02 -0.539106D+01 -0.144755D+02  0.197090D+01 -0.561380D+01
      6  -0.101547D+02 -0.367128D+01  0.112151D+02 -0.659161D+01  0.114005D+02
                51            52            53            54            55 
      1  -0.103753D+01  0.862139D+01 -0.540478D+01 -0.606129D+01 -0.119474D+02
      2   0.268393D+01 -0.505301D+01  0.567518D+01  0.371907D+00  0.875015D+01
      3  -0.164640D+01 -0.356838D+01 -0.270394D+00  0.568938D+01  0.319725D+01
      4  -0.302428D+01  0.202571D+00 -0.121846D+02  0.251460D+02  0.132623D+00
      5   0.127800D+02 -0.274513D+02  0.224248D+02 -0.666919D+01 -0.169255D+01
      6  -0.131973D+02  0.227776D+02 -0.254249D+02  0.106833D+02  0.777491D+01
                56            57            58            59            60 
      1   0.170456D+01 -0.178571D+01 -0.235479D+01  0.335883D+02 -0.915589D+00
      2  -0.653722D+01  0.146857D+01  0.367277D-02 -0.555128D+02 -0.189756D+01
      3   0.483266D+01  0.317140D+00  0.235112D+01  0.219246D+02  0.281315D+01
      4  -0.149487D+01  0.335663D+01  0.719883D+01  0.615135D+01 -0.842883D+00
      5   0.220161D+01 -0.784265D+00 -0.143577D+01 -0.155757D+01 -0.115125D+00
      6   0.665198D+00 -0.175208D+01 -0.428234D+00 -0.451862D+01  0.448534D+01
                61            62            63            64            65 
      1  -0.153153D+01 -0.186732D+01  0.124316D+02  0.530673D+01 -0.310215D+01
      2   0.134325D+01  0.637494D+01  0.667939D+01 -0.100273D+02 -0.675903D+00
      3   0.188275D+00 -0.450762D+01 -0.191110D+02  0.472055D+01  0.377805D+01
      4  -0.157388D+01  0.118590D+01 -0.551712D+01 -0.878366D+01  0.107775D+02
      5   0.572160D+01 -0.204430D+01  0.112028D+01  0.206239D+02 -0.857721D+00
      6  -0.364480D+01  0.342188D+01 -0.183957D+02 -0.485474D+01  0.367557D+01
                66            67            68            69            70 
      1   0.183096D+02 -0.475402D+01  0.162609D+02 -0.720860D-01  0.260416D+02
      2  -0.117557D+02 -0.829141D+00 -0.463963D+01 -0.205505D+01 -0.153053D+02
      3  -0.655390D+01  0.558316D+01 -0.116213D+02  0.212714D+01 -0.107364D+02
      4  -0.286970D+01  0.241086D+02 -0.196034D+02  0.399912D+01 -0.506869D+01
      5   0.123299D+02 -0.854182D-02  0.585573D+01  0.581639D+01  0.215772D+02
      6   0.118696D+01  0.153839D+01 -0.534292D+01  0.289437D+01 -0.299709D+01
                71            72            73            74            75 
      1  -0.100365D+01  0.529689D+01 -0.208936D+01 -0.146302D+00  0.447859D+01
      2  -0.194659D+01 -0.927768D+01 -0.579865D+01  0.149973D+01  0.430462D+01
      3   0.295024D+01  0.398079D+01  0.788802D+01 -0.135342D+01 -0.878321D+01
      4   0.291508D+01  0.436727D+01 -0.723368D+01  0.527263D+01  0.432136D+01
      5   0.576177D+01 -0.640769D+01 -0.907516D+01  0.386858D+01  0.141454D+02
      6   0.389377D+01  0.215421D+01  0.477240D+01 -0.249620D+01 -0.433738D+01
                76            77            78            79            80 
      1   0.573671D+01 -0.727848D+01 -0.779415D+01  0.701872D+01 -0.756062D+01
      2  -0.114543D+01  0.126686D+01 -0.305056D+00  0.653587D+01 -0.281543D+01
      3  -0.459128D+01  0.601162D+01  0.809920D+01 -0.135546D+02  0.103761D+02
      4   0.434466D+01 -0.193557D+01 -0.444956D+01  0.573263D+01 -0.429006D+01
      5   0.433872D+01 -0.441669D+01 -0.531730D+01  0.151861D+02 -0.643562D+01
      6  -0.313228D+01  0.622987D+01  0.108334D+02 -0.498131D+01  0.102984D+02
                81            82            83            84            85 
      1  -0.278737D+02  0.619821D+01 -0.132050D+01  0.665040D+00 -0.169375D+01
      2  -0.154199D+02 -0.194348D+01  0.277146D+01 -0.599226D+00  0.361460D+01
      3   0.432935D+02 -0.425473D+01 -0.145096D+01 -0.658145D-01 -0.192085D+01
      4  -0.827463D+01  0.118663D+02  0.135172D+02 -0.891428D+01  0.114544D+02
      5  -0.207570D+02 -0.714186D+01 -0.728035D+01  0.923771D+01 -0.579132D+01
      6   0.176637D+02 -0.824348D+01 -0.710048D+01  0.703045D+01 -0.757526D+01
                86            87            88            89            90 
      1  -0.109044D+02  0.513476D+01 -0.106294D+00  0.495666D+01 -0.689539D+01
      2   0.138780D+02 -0.531463D+01  0.278570D+00 -0.435116D+01  0.587195D+00
      3  -0.297355D+01  0.179865D+00 -0.172276D+00 -0.605496D+00  0.630820D+01
      4   0.170470D+02 -0.100617D+02 -0.919334D+01 -0.100231D+02  0.104581D+02
      5  -0.809555D+01  0.612870D+01  0.788401D+01  0.770053D+01 -0.956172D+01
      6  -0.156228D+02  0.134659D+02  0.807439D+01  0.139863D+02 -0.141699D+02
                91            92            93            94            95 
      1  -0.257108D+01  0.546882D+00  0.197987D+01  0.107043D+01 -0.344089D+02
      2   0.417911D+01  0.334745D+01 -0.685591D+00  0.304640D+01  0.503424D+02
      3  -0.160803D+01 -0.389433D+01 -0.129428D+01 -0.411684D+01 -0.159334D+02
      4   0.294127D+01  0.105906D+02  0.140895D+01  0.938692D+01  0.212688D+02
      5   0.132071D+01  0.183213D+01  0.176892D+01  0.247039D+01  0.545597D+01
      6   0.375730D+01 -0.145482D-01 -0.721249D-01  0.145352D+01  0.168964D+02
                96            97            98            99           100 
      1  -0.715199D+01  0.407197D+01 -0.400365D+01 -0.834932D+00  0.484414D+01
      2   0.713930D+01 -0.349587D+01  0.454399D+01  0.284588D+01  0.427006D+00
      3   0.126885D-01 -0.576096D+00 -0.540334D+00 -0.201095D+01 -0.527114D+01
      4   0.340784D+01  0.142731D+01 -0.232423D+00  0.111528D+01  0.617738D+01
      5   0.339564D+01  0.292214D+01  0.137750D+01 -0.376496D+00  0.246396D+01
      6   0.940945D+01  0.342064D+01  0.494652D+01  0.153033D+01  0.734623D+00
               101           102           103           104           105 
      1   0.571212D+01  0.244186D+01  0.105693D+02 -0.656563D+01 -0.870880D+00
      2  -0.203138D+01 -0.963200D+00  0.434772D+01  0.315610D+02  0.193687D+01
      3  -0.368074D+01 -0.147866D+01 -0.149170D+02 -0.249954D+02 -0.106599D+01
      4   0.904022D+01  0.848168D+00  0.283632D+02  0.583924D+02  0.378419D+01
      5   0.152637D+00  0.298652D+01  0.867567D+00  0.477072D+01  0.806243D+01
      6   0.192153D+00  0.225984D+00  0.452525D+00  0.127359D+00  0.659867D+01
               106           107           108           109           110 
      1   0.487090D+01 -0.814408D+00  0.417938D+00  0.914595D+02 -0.123590D+02
      2  -0.970346D+00  0.266672D+01  0.506338D+00 -0.495448D+02  0.821653D+01
      3  -0.390055D+01 -0.185231D+01 -0.924276D+00 -0.419147D+02  0.414243D+01
      4   0.375544D+01  0.762059D+01  0.585694D+01 -0.629325D+00  0.106921D+02
      5   0.718889D+01  0.562541D+01  0.917201D-02  0.287114D+02 -0.532242D+01
      6   0.254085D+01  0.685607D+01  0.142473D+01  0.882348D+00 -0.343050D+00
               111           112           113           114           115 
      1   0.203001D+02 -0.384687D+02  0.108378D+02 -0.662198D+01  0.431784D+02
      2  -0.115354D+02  0.217550D+02 -0.455017D+01  0.446771D+01 -0.236340D+02
      3  -0.876473D+01  0.167137D+02 -0.628766D+01  0.215427D+01 -0.195444D+02
      4  -0.271335D+01  0.118199D+02 -0.585579D+01  0.638403D+01 -0.115256D+01
      5   0.184986D+02 -0.106844D+02  0.765276D+01 -0.846357D+01  0.348437D+02
      6   0.217995D+01  0.179342D+01 -0.387961D+00  0.682242D+00  0.273107D+01
               116           117           118           119           120 
      1  -0.568907D+01  0.201786D+02  0.299294D+02 -0.200548D+01 -0.116000D+02
      2   0.485558D+01 -0.159102D+02 -0.203145D+02  0.154441D+01  0.925038D+01
      3   0.833497D+00 -0.426842D+01 -0.961493D+01  0.461071D+00  0.234957D+01
      4   0.862410D+01 -0.267355D+01  0.451227D+01  0.354446D+01 -0.271633D+01
      5  -0.635437D+01  0.125043D+02 -0.164675D+02 -0.504327D+00  0.205146D+02
      6   0.127561D+01  0.951122D-02 -0.322072D+01 -0.731191D+00  0.334818D+01
               121           122           123           124           125 
      1  -0.145460D+02  0.143078D+01  0.262064D+01 -0.254557D+02 -0.207903D+01
      2   0.108983D+02 -0.365150D+00 -0.420615D+01  0.242905D+02 -0.776492D+00
      3   0.364773D+01 -0.106563D+01  0.158552D+01  0.116524D+01  0.285552D+01
      4   0.629939D+01  0.188127D+01 -0.585916D+01 -0.103315D+02 -0.937394D+01
      5   0.523238D+01 -0.589950D+01 -0.785247D+01  0.484935D+02 -0.217143D+01
      6  -0.198287D+01 -0.826750D-01  0.328162D+01  0.818239D+01  0.436454D+01
               126           127           128           129           130 
      1   0.171690D+02  0.219301D+02 -0.695423D+01 -0.968202D+01 -0.447370D+01
      2  -0.280205D+02 -0.912376D+01  0.291979D+00  0.477586D+01 -0.213855D+01
      3   0.108516D+02 -0.128063D+02  0.666225D+01  0.490616D+01  0.661225D+01
      4   0.246154D+01 -0.239823D+02  0.180745D+02  0.103462D+02  0.159807D+02
      5  -0.582333D+02 -0.181692D+02  0.749892D+01  0.136233D+02  0.585658D+01
      6  -0.118814D+02  0.961146D+01 -0.490919D+01 -0.736806D+01 -0.507468D+01
               131           132           133           134           135 
      1   0.129851D+01  0.352892D+00 -0.121721D+02  0.105265D+01  0.371459D+01
      2   0.429679D+01  0.211559D+01  0.721050D+01  0.134698D+01 -0.441755D+01
      3  -0.559530D+01 -0.246848D+01  0.496162D+01 -0.239963D+01  0.702960D+00
      4  -0.141944D+02 -0.775937D+01  0.153600D+02 -0.121913D+02 -0.149673D+02
      5  -0.706065D+01 -0.684273D+01  0.199961D+02 -0.125639D+02 -0.159335D+02
      6   0.611058D+01  0.770048D+01 -0.122415D+02  0.115451D+02  0.966794D+01
               136           137           138           139           140 
      1   0.643650D+01 -0.519964D+01  0.303003D+01 -0.698122D+00 -0.586450D+01
      2  -0.231946D+01  0.954260D+00 -0.198784D+01 -0.366964D+01  0.110592D+02
      3  -0.411704D+01  0.424538D+01 -0.104220D+01  0.436776D+01 -0.519469D+01
      4  -0.144236D+02  0.140677D+02 -0.615936D+01  0.153804D+02 -0.180848D+02
      5   0.793325D+01 -0.534215D+01  0.103725D+02 -0.589907D+01  0.108065D+02
      6  -0.632184D+01  0.492290D+01 -0.581419D+01  0.773327D+01 -0.146857D+02
               141           142           143           144           145 
      1   0.290707D+01  0.445156D+01  0.598766D+01 -0.260540D+01  0.626070D+00
      2  -0.469947D+01 -0.210095D+01 -0.739104D+01 -0.281948D+01 -0.365703D+01
      3   0.179240D+01 -0.235061D+01  0.140338D+01  0.542488D+01  0.303096D+01
      4   0.111072D+02 -0.163156D+02  0.218304D+02 -0.190113D+02  0.315928D+00
      5  -0.875936D+01  0.195794D+02 -0.175137D+02  0.218921D+02  0.109356D+01
      6   0.140600D+02 -0.164657D+02  0.229520D+02 -0.231898D+02  0.676667D+00
               146           147           148           149           150 
      1  -0.858986D+00 -0.640085D+00  0.385268D+00 -0.455300D+01 -0.952088D+00
      2   0.157380D+01 -0.564846D+00  0.951851D+00  0.393068D+01  0.376438D+01
      3  -0.714810D+00  0.120493D+01 -0.133712D+01  0.622328D+00 -0.281229D+01
      4   0.275217D+01  0.158037D+01 -0.265566D+00  0.486114D+00 -0.325083D-01
      5  -0.430766D+00  0.602439D+01  0.562407D-02  0.262039D+00  0.167531D+00
      6   0.120465D+01  0.138523D+01  0.396218D+00  0.276397D+01  0.200823D+01
               151           152           153           154           155 
      1  -0.568584D+00 -0.773243D+01 -0.203590D+02 -0.128310D+01 -0.316724D+01
      2  -0.144978D+01  0.509176D+01 -0.883810D+01  0.642659D+01  0.473390D+01
      3   0.201836D+01  0.264067D+01  0.291971D+02 -0.514349D+01 -0.156666D+01
      4   0.377469D+01  0.247469D+00  0.264518D+01  0.138104D+00  0.111408D+02
      5   0.358608D+01 -0.546403D+00 -0.101621D+01  0.470003D+00  0.883572D+00
      6   0.120580D+01  0.911306D+01  0.240235D+02 -0.508072D+00  0.608665D+00
               156           157           158           159           160 
      1  -0.474249D+00 -0.161942D+01 -0.508507D+02 -0.299733D+01 -0.130900D+00
      2  -0.126402D+00  0.140570D+01  0.840542D+02  0.342576D+01  0.375276D+00
      3   0.600652D+00  0.213718D+00 -0.332034D+02 -0.428429D+00 -0.244376D+00
      4  -0.148682D+00  0.746008D+01 -0.386927D+01 -0.259965D-01 -0.804962D+00
      5   0.163357D+01  0.175283D+00  0.967808D+00 -0.290080D+00  0.534745D+00
      6   0.831844D+00  0.412034D+00  0.761810D+01  0.798962D+01  0.583285D+00
               161           162           163           164           165 
      1   0.325908D+01 -0.635348D+01  0.218288D+02 -0.189797D+01 -0.724550D+01
      2  -0.608278D+01  0.604106D+01 -0.400027D+01  0.107921D+02  0.100577D+02
      3   0.282370D+01  0.312419D+00 -0.178286D+02 -0.889415D+01 -0.281216D+01
      4   0.131480D+01 -0.178344D+00 -0.517939D+01 -0.108423D+02  0.271377D+00
      5  -0.701558D+00  0.571501D-01 -0.523396D+01 -0.168915D+01 -0.161210D+02
      6   0.994957D+01  0.108982D+01  0.206666D+01 -0.120588D+02 -0.427296D+01
               166           167           168           169           170 
      1  -0.296559D+01 -0.510632D+00 -0.119309D+01 -0.748693D+01  0.735869D+00
      2   0.173621D+02 -0.800642D+01  0.174588D+02  0.112023D+02  0.128267D+02
      3  -0.143965D+02  0.851705D+01 -0.162657D+02 -0.371539D+01 -0.135626D+02
      4  -0.197943D+02  0.262799D+02 -0.149465D+02  0.495385D+00 -0.798140D+01
      5  -0.349062D+01 -0.218316D+02 -0.162549D+02 -0.244849D+02 -0.121216D+02
      6  -0.176428D+02  0.193550D+02 -0.108044D+02 -0.518956D+01 -0.693539D+01
               171           172           173           174           175 
      1  -0.112793D+02 -0.890312D+01 -0.114835D+02 -0.265129D+02 -0.183435D+02
      2   0.104559D+02 -0.116108D+00  0.108346D+02  0.122567D+02  0.185142D+02
      3   0.823394D+00  0.901922D+01  0.648948D+00  0.142562D+02 -0.170709D+00
      4  -0.940871D+01 -0.100921D+02 -0.299061D+02 -0.756326D+01 -0.507645D+02
      5  -0.981175D+01 -0.291167D+02 -0.773265D+01 -0.100070D+02 -0.128502D+02
      6  -0.142848D+02 -0.356249D+00  0.248133D+01 -0.478279D+00  0.363633D+01
               176           177           178           179           180 
      1  -0.288535D+02 -0.112503D+02 -0.344738D+02 -0.115851D+02 -0.930745D+01
      2   0.458802D+01  0.296813D+01  0.127513D+02  0.214474D+01  0.147927D+02
      3   0.242655D+02  0.828219D+01  0.217225D+02  0.944040D+01 -0.548521D+01
      4   0.391554D+02 -0.261070D+01 -0.130153D+02 -0.468184D+01 -0.196767D+02
      5  -0.879201D+00 -0.191905D+02 -0.181230D+02 -0.191605D+02  0.310925D+02
      6  -0.472322D+01 -0.161150D+01 -0.164716D+01  0.172207D+01  0.133758D+01
               181           182           183           184           185 
      1  -0.138344D+02 -0.249042D+01  0.119106D+02 -0.355619D+00 -0.341148D+01
      2   0.430547D+01  0.471764D-01  0.972452D+00 -0.146179D+01  0.307229D+01
      3   0.952894D+01  0.244324D+01 -0.128831D+02  0.181741D+01  0.339188D+00
      4   0.829300D+01  0.110761D+01 -0.729917D+00  0.422799D+01 -0.158876D+01
      5  -0.120544D+02  0.206204D+00  0.242349D+01 -0.243212D+00  0.877075D+00
      6  -0.161376D+01 -0.395053D+01  0.564123D+01 -0.803247D+00 -0.302079D+01
               186           187           188           189           190 
      1   0.186848D+01  0.771292D+01  0.149804D+01 -0.632618D+01  0.752561D+01
      2  -0.256689D+01  0.377502D+00 -0.117219D+01 -0.343273D+01 -0.126980D+02
      3   0.698412D+00 -0.809042D+01 -0.325850D+00  0.975891D+01  0.517236D+01
      4   0.100426D+01 -0.856496D+00 -0.713513D+00  0.279295D+01  0.435003D+01
      5   0.240635D+01  0.730529D+01  0.167863D+01 -0.313126D+01  0.206797D+02
      6   0.389918D+01  0.334945D+01  0.310853D+01 -0.148643D+01  0.355231D+01
               191           192           193           194           195 
      1   0.335240D+01  0.332642D+01  0.498374D+01 -0.374966D+00 -0.298188D+01
      2  -0.581670D+01 -0.133752D+02 -0.100214D+02 -0.294029D+01 -0.123732D+02
      3   0.246431D+01  0.100487D+02  0.503767D+01  0.331525D+01  0.153551D+02
      4   0.677807D+01  0.287214D+01  0.879025D+01  0.519691D+01  0.846188D+01
      5   0.593492D+01  0.230057D+02  0.142396D+02  0.115195D+02  0.191781D+02
      6   0.623773D+01  0.331128D+01  0.813991D+01  0.734403D+01  0.107909D+02
               196           197           198           199           200 
      1   0.239189D+01 -0.154755D+01 -0.721863D+01  0.412454D+01 -0.341725D+01
      2  -0.129580D+02 -0.669004D+01 -0.214356D+02 -0.985872D-01 -0.325059D+01
      3   0.105661D+02  0.823759D+01  0.286542D+02 -0.402595D+01  0.666784D+01
      4   0.285235D+01  0.560758D+01  0.597106D+01 -0.124692D+02  0.160990D+02
      5   0.211315D+02  0.844608D+01  0.292011D+02  0.891161D+01 -0.785537D+01
      6   0.422401D+01  0.794473D+01  0.818891D+01 -0.701148D+01  0.975160D+01
               201           202           203           204           205 
      1   0.200311D+00 -0.177354D+01 -0.118205D+02  0.747588D+01 -0.103863D+01
      2  -0.191321D+01 -0.658645D+01  0.245274D+02 -0.572721D+01 -0.176917D+01
      3   0.171290D+01  0.835999D+01 -0.127070D+02 -0.174867D+01  0.280780D+01
      4  -0.550125D+01  0.200003D+02 -0.338163D+02  0.122923D+02 -0.134002D+01
      5   0.954337D+01 -0.980463D+01  0.160494D+02 -0.954132D+01  0.621272D+01
      6  -0.445647D+01  0.129403D+02 -0.299551D+02  0.172148D+02 -0.336934D+01
               206           207           208           209           210 
      1   0.404985D+01 -0.267069D+01  0.511431D+01  0.347857D+01 -0.559260D+01
      2  -0.855811D+00  0.294552D-01 -0.506179D+01 -0.239192D+01  0.452702D+01
      3  -0.319404D+01  0.264123D+01 -0.525126D-01 -0.108665D+01  0.106558D+01
      4   0.365192D+01 -0.441998D+01  0.343066D+01  0.412046D+01 -0.101459D+01
      5  -0.450491D+01  0.576591D+01 -0.659066D+01 -0.158272D+01  0.109056D+02
      6   0.103161D+02 -0.581358D+01 -0.814798D+00 -0.441182D+00  0.241002D+00
               211           212           213           214           215 
      1   0.766371D+01  0.241799D+01  0.558774D+00 -0.131636D+02  0.136527D+01
      2  -0.555879D+01 -0.128595D+01  0.284953D+01  0.124480D+02  0.238196D+01
      3  -0.210492D+01 -0.113204D+01 -0.340830D+01  0.715613D+00 -0.374723D+01
      4   0.895397D+01  0.224589D+01 -0.716150D+01 -0.144023D+01 -0.894383D+01
      5  -0.462630D+01 -0.690062D+01  0.133763D+02  0.240280D+02  0.101772D+02
      6  -0.201922D+01 -0.216720D+01  0.503912D+01  0.639296D+00  0.469625D+01
               216           217           218           219           220 
      1   0.184022D+01  0.240270D+02 -0.133781D+02  0.115576D+01 -0.265579D+02
      2  -0.190970D+02 -0.727256D+01  0.303853D+01 -0.495134D+00  0.331310D+01
      3   0.172568D+02 -0.167544D+02  0.103396D+02 -0.660626D+00  0.232448D+02
      4   0.103315D+02 -0.193331D+02  0.227749D+02  0.156003D+01  0.434415D+02
      5  -0.480666D+02 -0.765075D+00  0.253778D+01  0.503585D+01  0.690328D+01
      6  -0.162282D+01  0.194916D+01 -0.216582D+01 -0.775422D+00 -0.452018D+01
               221           222           223           224           225 
      1   0.144815D+02  0.246221D+01  0.567899D+01  0.587325D+00  0.330437D+01
      2   0.107219D+02 -0.178423D+01 -0.167722D+01 -0.820980D+00 -0.147098D+01
      3  -0.252035D+02 -0.677981D+00 -0.400176D+01  0.233656D+00 -0.183339D+01
      4  -0.567985D+02 -0.182600D+01  0.168884D+00  0.137059D+01 -0.464704D+01
      5  -0.312763D+01 -0.845898D+01  0.939699D+01 -0.513097D+01 -0.273242D+01
      6   0.701391D+01  0.599771D+01 -0.309934D+01  0.536713D+01  0.158899D+00
               226           227           228           229           230 
      1   0.603433D+02  0.161526D+02  0.164666D+02  0.343039D+02  0.160146D+02
      2  -0.293740D+02 -0.789301D+01 -0.796493D+01 -0.162786D+02 -0.384572D+01
      3  -0.309694D+02 -0.825963D+01 -0.850163D+01 -0.180253D+02 -0.121689D+02
      4   0.188803D+02  0.164104D+02  0.680357D+01  0.281329D+02  0.137808D+02
      5   0.171430D+02  0.617747D+01  0.140277D+02  0.100306D+02  0.723010D+01
      6   0.912295D+00 -0.329085D+00 -0.118924D+00  0.894904D+00  0.177381D+01
               231           232           233           234 
      1   0.793444D+01  0.370246D+02  0.810744D+01  0.134505D+02
      2  -0.304039D+01 -0.186960D+02 -0.354740D+01 -0.100980D+02
      3  -0.489405D+01 -0.183286D+02 -0.456004D+01 -0.335249D+01
      4   0.835596D+01  0.123729D+02  0.112110D+02  0.934544D+01
      5   0.120208D+02  0.219384D+02  0.903246D+01  0.144968D+02
      6   0.239310D+01  0.192912D+01  0.157604D+01  0.178348D+01
 Leave Link  716 at Thu Jul  8 18:41:11 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151029D+03 -0.519608D+01 -0.301777D+01
      2  -0.519608D+01  0.114821D+03  0.131101D+01
      3  -0.301777D+01  0.131101D+01  0.102862D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.555404D+01  0.477923D+00  0.189711D+01
      2   0.295191D+02 -0.540736D+01  0.949600D+01
      3  -0.205585D+02  0.102482D+02  0.839036D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.422382D+02 -0.132924D+02  0.960363D+01
      2   0.519203D+01  0.112394D+02 -0.193043D+02
      3   0.370462D+02  0.205305D+01  0.970067D+01
      4  -0.373440D+02 -0.225587D+02 -0.854600D+01
      5   0.184372D+02 -0.113305D+02  0.331681D+02
      6   0.432531D+01 -0.290872D+01 -0.841696D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.263566D+02 -0.926355D+00 -0.130060D+01 -0.321618D+01 -0.182093D+01
      2  -0.926355D+00  0.557382D-01 -0.221837D+00 -0.182093D+01 -0.645508D+01
      3  -0.130060D+01 -0.221837D+00 -0.479696D+01  0.405075D+00 -0.119452D+01
                 6             7             8             9            10 
      1   0.405075D+00 -0.676819D+01 -0.268402D+01 -0.604399D+01 -0.349910D+01
      2  -0.119452D+01 -0.268402D+01  0.257364D+00  0.156361D+01  0.250663D+01
      3   0.823218D+00 -0.604399D+01  0.156361D+01  0.315362D+01  0.120310D-03
                11            12            13            14            15 
      1   0.250663D+01  0.120310D-03 -0.485314D-01 -0.266806D+01  0.722654D+00
      2  -0.148313D+01  0.298486D+01 -0.266806D+01  0.636591D+01  0.161984D+01
      3   0.298486D+01 -0.217200D+01  0.722654D+00  0.161984D+01  0.581496D+00
                16            17            18            19            20 
      1  -0.126735D+01  0.485826D+01 -0.991586D+00  0.298545D+02 -0.408873D+01
      2   0.485826D+01  0.251602D+01 -0.194710D-01 -0.408873D+01  0.540660D+01
      3  -0.991586D+00 -0.194710D-01  0.142312D+01 -0.257799D+01 -0.356129D+00
                21            22            23            24            25 
      1  -0.257799D+01 -0.752300D+01  0.503601D+01  0.854709D+00 -0.751121D+01
      2  -0.356129D+00  0.503601D+01  0.394104D+01  0.329808D+00 -0.982209D-01
      3   0.249635D+01  0.854709D+00  0.329808D+00 -0.296272D+01  0.389575D+01
                26            27            28            29            30 
      1  -0.982209D-01  0.389575D+01 -0.252216D+02  0.509980D+01  0.302597D+01
      2  -0.848299D+00 -0.302865D+01  0.509980D+01 -0.416779D+01 -0.731702D+00
      3  -0.302865D+01 -0.429474D+01  0.302597D+01 -0.731702D+00 -0.404918D+01
                31            32            33            34            35 
      1   0.116943D+02 -0.676332D+01 -0.684385D+00  0.844109D+01 -0.155609D+01
      2  -0.676332D+01  0.157228D+01 -0.205240D+00 -0.155609D+01  0.130413D+01
      3  -0.684385D+00 -0.205240D+00  0.264434D+01 -0.467427D+01  0.791837D+00
                36            37            38            39            40 
      1  -0.467427D+01  0.140580D+02 -0.316052D+01 -0.103619D+00 -0.374348D+01
      2   0.791837D+00 -0.316052D+01 -0.373778D+00 -0.531683D+00  0.170287D+01
      3   0.257263D+01 -0.103619D+00 -0.531683D+00  0.300232D+01 -0.502483D+00
                41            42            43            44            45 
      1   0.170287D+01 -0.502483D+00 -0.668359D+00 -0.188742D+00  0.716867D+01
      2   0.675114D+01  0.142522D+01 -0.188742D+00  0.180784D+01 -0.129616D+01
      3   0.142522D+01 -0.166325D+01  0.716867D+01 -0.129616D+01 -0.546927D+01
                46            47            48            49            50 
      1  -0.899029D+00 -0.381652D+01 -0.224871D+01 -0.580224D+01  0.554960D+01
      2  -0.381652D+01  0.184393D+01  0.602271D-01  0.554960D+01 -0.124512D+01
      3  -0.224871D+01  0.602271D-01  0.270834D+01 -0.452631D+00  0.107359D+01
                51            52            53            54            55 
      1  -0.452631D+00 -0.240425D+01 -0.961920D+00  0.504974D+01  0.272030D+01
      2   0.107359D+01 -0.961920D+00  0.277801D+01 -0.395593D+01  0.145247D+01
      3  -0.266463D+01  0.504974D+01 -0.395593D+01  0.227479D+01  0.116827D+01
                56            57            58            59            60 
      1   0.145247D+01  0.116827D+01  0.194558D+01 -0.103280D+01 -0.183900D+00
      2  -0.105045D+00  0.208286D+00 -0.103280D+01 -0.852767D+01 -0.228099D+00
      3   0.208286D+00 -0.956320D+00 -0.183900D+00 -0.228099D+00  0.142327D+01
                61            62            63            64            65 
      1   0.191688D+01  0.363384D+00 -0.113605D+01  0.161521D+02 -0.126265D+01
      2   0.363384D+00  0.684371D+00  0.410197D+00 -0.126265D+01  0.255546D+01
      3  -0.113605D+01  0.410197D+00 -0.556295D+01  0.493132D+01 -0.711664D+00
                66            67            68            69            70 
      1   0.493132D+01  0.242089D+01  0.664386D+01  0.875162D+00  0.146893D+02
      2  -0.711664D+00  0.664386D+01 -0.455615D+01  0.111349D+01 -0.168663D+00
      3   0.367009D+01  0.875162D+00  0.111349D+01  0.943889D+00  0.489596D+01
                71            72            73            74            75 
      1  -0.168663D+00  0.489596D+01  0.476853D+01 -0.109294D+01 -0.211061D+01
      2   0.694221D+00  0.121744D+01 -0.109294D+01  0.366296D+00  0.559586D+00
      3   0.121744D+01 -0.128265D+01 -0.211061D+01  0.559586D+00  0.270850D+01
                76            77            78            79            80 
      1  -0.319422D+01  0.261854D+00  0.300192D+00 -0.242815D+01  0.661588D+00
      2   0.261854D+00 -0.727176D+00 -0.144489D+01  0.661588D+00 -0.178831D+01
      3   0.300192D+00 -0.144489D+01 -0.238533D+01  0.338262D+01 -0.272270D+01
                81            82            83            84            85 
      1   0.338262D+01  0.295753D+01  0.157995D+01 -0.129253D+01  0.938490D+00
      2  -0.272270D+01  0.157995D+01  0.187532D+01 -0.159875D+01  0.151852D+01
      3  -0.860605D+01 -0.129253D+01 -0.159875D+01  0.192534D+01 -0.138626D+01
                86            87            88            89            90 
      1   0.151852D+01 -0.138626D+01 -0.211966D+01 -0.190804D+01  0.154024D+01
      2   0.418745D+01 -0.242910D+01 -0.190804D+01 -0.271601D+01  0.220226D+01
      3  -0.242910D+01  0.205606D+01  0.154024D+01  0.220226D+01 -0.281385D+01
                91            92            93            94            95 
      1   0.210733D+00 -0.153902D+01 -0.638758D+00 -0.172758D+01 -0.151530D+01
      2  -0.153902D+01 -0.109237D+01  0.115661D+00 -0.151530D+01 -0.107439D+02
      3  -0.638758D+00  0.115661D+00  0.267499D+00 -0.215534D-01 -0.180544D+01
                96            97            98            99           100 
      1  -0.215534D-01 -0.233000D+01  0.262204D+00 -0.675711D+00 -0.582177D+00
      2  -0.180544D+01  0.262204D+00 -0.859639D+00 -0.522050D+00 -0.652181D+00
      3  -0.102888D+01 -0.675711D+00 -0.522050D+00 -0.809377D-01 -0.358516D+00
               101           102           103           104           105 
      1  -0.652181D+00 -0.358516D+00 -0.290444D+01 -0.344929D+01 -0.845255D-01
      2  -0.297932D+00 -0.473320D-01 -0.344929D+01 -0.862743D+01 -0.494977D+00
      3  -0.473320D-01 -0.213835D+00 -0.845255D-01 -0.494977D+00 -0.102238D+01
               106           107           108           109           110 
      1  -0.897451D+00 -0.461978D+00 -0.820365D+00 -0.121723D+02  0.132089D+01
      2  -0.461978D+00 -0.107643D+01 -0.931135D+00  0.132089D+01 -0.103583D+01
      3  -0.820365D+00 -0.931135D+00 -0.749950D-02 -0.232593D+01  0.664540D+00
               111           112           113           114           115 
      1  -0.232593D+01  0.550301D+01 -0.166658D+01  0.733817D+00 -0.557032D+01
      2   0.664540D+00 -0.166658D+01  0.790935D+00 -0.923648D+00  0.651426D+00
      3  -0.171893D+01  0.733817D+00 -0.923648D+00  0.102843D+01 -0.347589D+01
               116           117           118           119           120 
      1   0.651426D+00 -0.347589D+01 -0.527964D+01  0.870462D-01  0.213389D+01
      2  -0.114651D+01  0.777366D+00  0.870462D-01 -0.118582D+00  0.819920D-01
      3   0.777366D+00 -0.119512D+01  0.213389D+01  0.819920D-01 -0.197942D+01
               121           122           123           124           125 
      1   0.257065D+01 -0.914525D+00 -0.733927D+00  0.647593D+01  0.697551D+00
      2  -0.914525D+00 -0.239004D+00  0.889092D+00  0.697551D+00  0.977206D+00
      3  -0.733927D+00  0.889092D+00  0.110104D+01 -0.571860D+01  0.347194D+00
               126           127           128           129           130 
      1  -0.571860D+01 -0.555373D+01  0.269657D+01  0.264432D+01  0.247247D+01
      2   0.347194D+00  0.269657D+01 -0.230362D+01 -0.109178D+01 -0.217439D+01
      3   0.773738D+01  0.264432D+01 -0.109178D+01 -0.181578D+01 -0.921425D+00
               131           132           133           134           135 
      1  -0.217439D+01 -0.921425D+00  0.415891D+01 -0.155935D+01 -0.317965D+01
      2   0.191818D+01  0.119705D+01 -0.155935D+01  0.164696D+01  0.230741D+01
      3   0.119705D+01  0.125675D+01 -0.317965D+01  0.230741D+01  0.261453D+01
               136           137           138           139           140 
      1  -0.245375D+01  0.223879D+01 -0.112332D+01  0.207307D+01 -0.244742D+01
      2   0.223879D+01 -0.181737D+01  0.754332D+00 -0.244742D+01  0.408606D+01
      3  -0.112332D+01  0.754332D+00 -0.125116D+01  0.115460D+01 -0.230076D+01
               141           142           143           144           145 
      1   0.115460D+01 -0.294177D+01  0.248523D+01 -0.333897D+01 -0.619339D-01
      2  -0.230076D+01  0.248523D+01 -0.491095D+01  0.350712D+01 -0.145396D+00
      3   0.186188D+01 -0.333897D+01  0.350712D+01 -0.488036D+01  0.634225D+00
               146           147           148           149           150 
      1  -0.145396D+00  0.634225D+00 -0.732544D+00  0.494404D+00 -0.211044D+00
      2   0.217751D+00  0.179161D-01  0.494404D+00  0.404226D+00  0.950416D+00
      3   0.179161D-01  0.536197D+00 -0.211044D+00  0.950416D+00 -0.680545D+00
               151           152           153           154           155 
      1   0.150823D+01 -0.414765D+00  0.624607D+00  0.303834D+00  0.119873D+01
      2  -0.414765D+00  0.147343D+01  0.119041D+01  0.119873D+01  0.517324D+00
      3   0.624607D+00  0.119041D+01  0.723278D+01 -0.110448D+00  0.949876D-01
               156           157           158           159           160 
      1  -0.110448D+00  0.105919D+01  0.390600D+00  0.804589D-01 -0.536195D+00
      2   0.949876D-01  0.390600D+00  0.129700D+02  0.602253D+00  0.722874D-01
      3   0.212198D+00  0.804589D-01  0.602253D+00  0.746124D+00  0.113957D+00
               161           162           163           164           165 
      1   0.722874D-01  0.113957D+00  0.415271D+01  0.376225D+00 -0.355715D+01
      2  -0.118700D+01  0.121151D+01  0.376225D+00 -0.348963D+01 -0.613382D+00
      3   0.121151D+01  0.371991D+00 -0.355715D+01 -0.613382D+00 -0.204130D+01
               166           167           168           169           170 
      1  -0.265389D+00 -0.507390D+01 -0.893379D+00 -0.439116D+01 -0.663199D+00
      2  -0.507390D+01  0.600622D+01 -0.363561D+01 -0.663199D+00 -0.186176D+01
      3  -0.893379D+00 -0.363561D+01 -0.364521D+01 -0.306748D+01 -0.288304D+01
               171           172           173           174           175 
      1  -0.306748D+01 -0.398217D+01 -0.708729D+00 -0.383671D+01 -0.157053D+01
      2  -0.288304D+01 -0.708729D+00 -0.393258D+01 -0.105662D+01 -0.691712D+01
      3  -0.467348D+00 -0.383671D+01 -0.105662D+01 -0.111447D+01 -0.158861D+01
               176           177           178           179           180 
      1  -0.691712D+01 -0.158861D+01 -0.485448D+01 -0.158387D+01 -0.275362D+01
      2   0.554797D+01 -0.806706D-01 -0.158387D+01 -0.753743D+00 -0.299936D+01
      3  -0.806706D-01 -0.297637D+01 -0.275362D+01 -0.299936D+01  0.506295D+01
               181           182           183           184           185 
      1  -0.610143D+01 -0.280647D+00  0.124954D+01 -0.458102D+00 -0.111346D+00
      2  -0.280647D+00 -0.699472D+00  0.664127D+00 -0.111346D+00 -0.756911D+00
      3   0.124954D+01  0.664127D+00 -0.261386D+01  0.297510D+00  0.694197D+00
               186           187           188           189           190 
      1   0.297510D+00  0.975719D+00  0.354936D+00 -0.125493D+01  0.301075D+01
      2   0.694197D+00  0.354936D+00  0.608200D+00  0.901277D-01  0.791004D+00
      3   0.141520D+00 -0.125493D+01  0.901277D-01  0.144600D+01  0.294882D+01
               191           192           193           194           195 
      1   0.791004D+00  0.294882D+01  0.215726D+01  0.176844D+01  0.206530D+01
      2   0.133561D+01  0.696987D+00  0.176844D+01  0.125006D+01  0.203501D+01
      3   0.696987D+00  0.332785D+01  0.206530D+01  0.203501D+01  0.395869D+01
               196           197           198           199           200 
      1   0.194952D+01  0.862803D+00  0.306137D+01  0.174231D+01 -0.197908D+01
      2   0.862803D+00  0.124618D+01  0.166339D+01 -0.197908D+01  0.251921D+01
      3   0.306137D+01  0.166339D+01  0.568343D+01  0.137785D+01 -0.868819D+00
               201           202           203           204           205 
      1   0.137785D+01 -0.244999D+01  0.355894D+01 -0.119495D+01  0.422424D+00
      2  -0.868819D+00  0.355894D+01 -0.812764D+01  0.317145D+01 -0.229093D+00
      3   0.137216D+01 -0.119495D+01  0.317145D+01 -0.211069D+01  0.896540D+00
               206           207           208           209           210 
      1  -0.229093D+00  0.896540D+00  0.488954D+00  0.488469D+00 -0.827468D+00
      2   0.898985D+00 -0.100503D+01  0.488469D+00  0.433531D+00 -0.390544D-01
      3  -0.100503D+01  0.983902D+00 -0.827468D+00 -0.390544D-01  0.794950D+00
               211           212           213           214           215 
      1   0.124899D+01  0.110988D+01 -0.546628D+00 -0.281668D+01 -0.228763D+00
      2   0.110988D+01  0.355078D+00 -0.110699D+01 -0.228763D+00 -0.124991D+01
      3  -0.546628D+00 -0.110699D+01  0.201971D+01  0.285866D+01  0.156589D+01
               216           217           218           219           220 
      1   0.285866D+01  0.371433D+01 -0.223012D+01  0.150181D+00 -0.559602D+01
      2   0.156589D+01 -0.223012D+01  0.222370D+01  0.148829D+00  0.530390D+01
      3  -0.725069D+01  0.150181D+00  0.148829D+00  0.314385D+00  0.663435D+00
               221           222           223           224           225 
      1   0.530390D+01  0.663435D+00  0.106690D+01  0.428878D-01  0.109978D+01
      2  -0.766235D+01 -0.268830D+00  0.428878D-01  0.175266D+00 -0.668905D+00
      3  -0.268830D+00 -0.968596D+00  0.109978D+01 -0.668905D+00 -0.337428D+00
               226           227           228           229           230 
      1   0.802888D+01  0.204631D+01  0.214785D+01  0.514829D+01  0.321612D+01
      2   0.204631D+01  0.156667D+01  0.816425D+00  0.321612D+01  0.152194D+01
      3   0.214785D+01  0.816425D+00  0.138702D+01  0.125279D+01  0.101735D+01
               231           232           233           234 
      1   0.125279D+01  0.590031D+01  0.139416D+01  0.254324D+01
      2   0.101735D+01  0.139416D+01  0.133039D+01  0.118667D+01
      3   0.152219D+01  0.254324D+01  0.118667D+01  0.169176D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.384275D+01 -0.134500D+01 -0.263731D+01 -0.181995D+01  0.789809D+01
      2  -0.365823D+02 -0.302328D+00 -0.487856D+01 -0.363026D+01 -0.422281D+01
      3   0.369259D+02 -0.514895D+01  0.214025D+01  0.185585D+02  0.917198D+01
                 6             7             8             9            10 
      1   0.106117D+01  0.132895D+01  0.367821D+01  0.202646D+01  0.229221D+01
      2  -0.378262D+00 -0.254262D+02 -0.241745D+01 -0.529161D+01 -0.353839D+01
      3   0.307786D+01  0.145336D+02 -0.120159D+01  0.607063D+01 -0.826595D+01
                11            12            13            14            15 
      1  -0.333691D+01 -0.487415D+00 -0.184838D+00 -0.876600D+01 -0.499743D+01
      2   0.675389D+01  0.984106D+00 -0.999520D+00  0.121197D+01  0.162341D+01
      3  -0.170944D+01 -0.632984D+01  0.138965D+02 -0.150804D+02  0.670710D-01
                16            17            18            19            20 
      1  -0.136243D+01  0.289584D+01 -0.258435D+01 -0.306744D+00  0.537366D+00
      2  -0.494894D+01  0.679669D+01  0.196298D+01  0.289036D+02 -0.247906D+01
      3  -0.145765D+02  0.124355D+01 -0.277600D+01 -0.521650D+02  0.143835D+02
                21            22            23            24            25 
      1   0.443022D+01  0.273868D+01 -0.454597D+01 -0.372017D+01  0.101061D+02
      2  -0.495696D+01 -0.920147D+01  0.504186D+01  0.346097D+01 -0.266449D+02
      3   0.300280D+01  0.264902D+02 -0.706928D+01 -0.329902D+01  0.137061D+02
                26            27            28            29            30 
      1   0.906490D+00 -0.349901D+01  0.106660D+01  0.467464D+00 -0.356151D+01
      2   0.288090D+01  0.804989D+01 -0.284907D+02  0.309973D+01  0.924454D+01
      3  -0.486552D+01 -0.102528D+02  0.465317D+02 -0.183831D+02 -0.611740D+01
                31            32            33            34            35 
      1   0.109840D+01  0.145244D+01  0.145610D+01 -0.840670D+01  0.107111D+02
      2   0.133130D+02 -0.318098D+01 -0.431382D+01  0.303979D+01 -0.242470D+01
      3  -0.205392D+02  0.878616D+01 -0.178625D+01 -0.176852D+02  0.253130D+01
                36            37            38            39            40 
      1   0.373801D+01 -0.127919D+01  0.230254D+00  0.122592D+01  0.102448D+01
      2  -0.654440D+01 -0.207821D+01  0.281703D+01 -0.106243D+02  0.398011D+01
      3   0.770450D+01 -0.265381D+02  0.112638D+01 -0.158659D+01  0.146818D+02
                41            42            43            44            45 
      1   0.327412D+01 -0.287664D+01  0.633026D+01  0.510080D+00 -0.541454D+01
      2  -0.594351D+01  0.600331D+01 -0.383201D+02  0.539572D+01  0.233662D+02
      3   0.245411D+02  0.591295D+01 -0.263358D+01  0.749342D+01 -0.123695D+02
                46            47            48            49            50 
      1   0.379338D+01  0.627289D+00 -0.477761D+01  0.273007D+01 -0.261490D+01
      2   0.759771D+01 -0.184832D+01 -0.466350D+01 -0.182567D+01 -0.784025D+00
      3  -0.105757D+02 -0.675475D+01 -0.527731D+01  0.106927D+02 -0.531404D+01
                51            52            53            54            55 
      1   0.338897D+01 -0.130864D+02  0.134340D+02 -0.258353D+01 -0.217767D+01
      2   0.559709D+01 -0.159729D+02  0.933240D+01 -0.288346D+01 -0.393893D+01
      3   0.340924D+01 -0.796533D+01  0.931270D+01 -0.323088D+01  0.115595D+02
                56            57            58            59            60 
      1  -0.130052D+01  0.242999D+01  0.506902D+00 -0.777850D+01 -0.539005D+01
      2  -0.409115D+00  0.129716D+01 -0.275548D+01  0.155769D+01 -0.668880D+00
      3   0.650335D+01  0.470042D+01  0.123290D+02 -0.672162D+01  0.492520D+00
                61            62            63            64            65 
      1   0.307143D+01  0.351565D+01  0.134642D+02 -0.120299D+01  0.312302D+01
      2  -0.122360D+01 -0.121027D+01  0.317915D+01  0.321249D+02 -0.184393D+01
      3   0.454104D+01  0.220510D+00 -0.105657D+01 -0.107698D+02 -0.124540D+02
                66            67            68            69            70 
      1   0.252276D+01 -0.517675D+01  0.257326D+01 -0.373278D+01 -0.276450D+01
      2   0.134819D+02  0.745159D+01  0.471665D+01  0.412781D+01  0.129139D+02
      3  -0.854423D+00 -0.193876D+02  0.108337D+02 -0.273138D+01 -0.124022D+02
                71            72            73            74            75 
      1   0.631759D+01  0.361703D+00 -0.198249D+01 -0.383288D+00  0.157421D+01
      2   0.511062D+01 -0.786807D+00  0.555675D+01 -0.917827D+00  0.124476D+01
      3  -0.235707D+01 -0.716800D+01 -0.468270D+01 -0.136119D+01  0.100177D+01
                76            77            78            79            80 
      1   0.509307D+00  0.187921D-01 -0.977779D+00  0.208191D+01  0.379141D+01
      2  -0.413000D+01 -0.103233D+01 -0.168065D+01 -0.285607D+01 -0.942376D+00
      3   0.842178D+01 -0.712713D+00  0.328572D+00  0.127703D+01  0.186154D+01
                81            82            83            84            85 
      1  -0.258437D+01  0.370825D+00  0.487194D-01 -0.193226D+01  0.423852D+00
      2  -0.257514D+01  0.241171D+01 -0.897855D+00  0.244951D+01 -0.586949D+00
      3  -0.945046D+00  0.821905D+00 -0.252514D+01  0.275591D+00  0.392277D+01
                86            87            88            89            90 
      1  -0.134211D+01 -0.304510D+01 -0.901670D+00  0.711868D+00  0.274525D+01
      2  -0.123095D+01  0.125840D+01 -0.226221D+01 -0.454726D-01 -0.212412D+01
      3  -0.417065D+01  0.133487D+01 -0.398272D+00  0.207021D+01 -0.989206D-01
                91            92            93            94            95 
      1  -0.763266D+00  0.124772D+01 -0.390029D+00  0.123677D+01  0.659316D+01
      2   0.494504D+00 -0.126827D+01 -0.773542D-01 -0.181043D+01 -0.930344D+00
      3  -0.346406D+00 -0.242889D+00  0.945532D+00  0.459916D+01 -0.794927D+01
                96            97            98            99           100 
      1  -0.423533D+01 -0.383653D+01  0.111563D+01  0.962201D+00 -0.746604D+00
      2   0.152677D+01 -0.242371D+01  0.152254D+00 -0.931217D+00  0.131506D+01
      3  -0.109753D+01  0.640574D+01 -0.913638D+00  0.381247D+00 -0.274348D+01
               101           102           103           104           105 
      1  -0.544554D+00 -0.135589D+00 -0.567644D+00 -0.226377D+01 -0.418766D+01
      2   0.380893D+00  0.145318D+01  0.261690D+00  0.179083D+01  0.426005D+01
      3  -0.221666D+01  0.353853D+00 -0.523263D+01 -0.282402D+02 -0.200846D+01
               106           107           108           109           110 
      1  -0.200706D+00 -0.231359D+00 -0.475223D+00 -0.820208D-01  0.960516D+00
      2   0.154566D+01  0.243997D+01 -0.592762D-01  0.926851D+01 -0.237515D+01
      3  -0.331696D+00 -0.348920D+01 -0.188484D+01  0.165664D+02 -0.809676D+01
               111           112           113           114           115 
      1  -0.977544D+00  0.121916D+00 -0.990649D+00 -0.196679D+00 -0.126296D+01
      2   0.938115D+01 -0.402945D+01  0.329350D+01 -0.445239D+01  0.129206D+02
      3   0.473623D+01 -0.940530D+01  0.451557D+01 -0.401652D+01  0.729676D+01
               116           117           118           119           120 
      1   0.159413D+01 -0.637892D+00  0.235105D+01 -0.648750D+00 -0.187088D+01
      2  -0.307634D+01  0.486924D+01 -0.759751D+01 -0.746129D+00  0.862534D+01
      3  -0.612653D+01  0.589929D+01  0.688594D+01 -0.216204D+01 -0.231967D+01
               121           122           123           124           125 
      1  -0.960024D+00  0.105541D+01  0.534228D+00 -0.370488D+01  0.333985D+01
      2   0.245938D+01 -0.284527D+01 -0.433782D+01  0.205679D+02 -0.119502D+01
      3  -0.321426D+01  0.406377D-01  0.321299D+01 -0.470758D+01  0.464746D+01
               126           127           128           129           130 
      1   0.727719D+01 -0.477758D+01  0.118281D+01  0.408590D+01  0.115407D+01
      2  -0.302201D+02 -0.547744D+01  0.330418D+01  0.620486D+01  0.212081D+01
      3   0.713666D+01 -0.381993D+01 -0.480252D+01  0.140848D+01  0.103193D+01
               131           132           133           134           135 
      1  -0.152348D+01 -0.310230D+01  0.557047D+01 -0.176954D+01 -0.469202D+01
      2  -0.282051D+01 -0.356912D+01  0.478807D+01 -0.532921D+01 -0.688043D+01
      3   0.681873D+00  0.741133D+00  0.545671D+01  0.202237D+01  0.260927D+00
               136           137           138           139           140 
      1   0.183992D+01 -0.131295D+01  0.238722D+01 -0.156851D+01  0.247816D+01
      2   0.129362D+01 -0.754004D+00  0.391413D+01 -0.397268D+00  0.339810D+01
      3   0.147915D+01 -0.187985D+01  0.493257D+00 -0.959694D+00  0.780152D+01
               141           142           143           144           145 
      1  -0.496656D+01  0.677728D+01 -0.512159D+01  0.865638D+01 -0.248724D+01
      2  -0.412283D+01  0.459605D+01 -0.655064D+01  0.947508D+01 -0.454535D+00
      3  -0.322187D+01  0.975506D+00 -0.104202D+02  0.373095D+01 -0.471244D+00
               146           147           148           149           150 
      1   0.109251D+01 -0.176816D+01  0.126162D+01 -0.169458D+01  0.204374D+01
      2   0.339499D+00 -0.507378D-01  0.190628D+01 -0.162887D+01  0.926840D+00
      3  -0.282205D+01  0.165821D+01 -0.202421D+01  0.773281D+00  0.167984D+00
               151           152           153           154           155 
      1  -0.217790D+01  0.196213D+01 -0.163345D+02  0.941545D+00  0.373289D+00
      2  -0.437205D+01  0.325968D-01 -0.386907D+01  0.851888D+00 -0.640593D+00
      3   0.478134D+01 -0.798875D+00  0.114093D+01  0.656134D+00  0.122537D+01
               156           157           158           159           160 
      1  -0.593123D+00 -0.173970D+00  0.479852D+01 -0.478708D+01 -0.679287D+00
      2   0.987638D+00 -0.147534D+01 -0.987697D+00 -0.320004D+00 -0.656054D+00
      3  -0.810751D+00  0.776660D+01  0.618054D+01  0.281680D+00 -0.137231D+01
               161           162           163           164           165 
      1  -0.171991D+01 -0.343624D+00 -0.145409D+01 -0.750078D+01 -0.282915D+01
      2  -0.352690D+00 -0.619242D+00 -0.183701D+02 -0.276306D+01  0.732590D+01
      3  -0.103784D+01  0.125517D+01 -0.429691D+01  0.391799D+01  0.446116D+01
               166           167           168           169           170 
      1  -0.116336D+02  0.907686D+01 -0.131786D+02 -0.375915D+01 -0.578008D+01
      2  -0.416269D+01  0.872659D+00 -0.444092D+01 -0.742575D+00 -0.368155D+01
      3   0.117088D+02 -0.798848D+01  0.718045D+01  0.526912D+01  0.474998D+01
               171           172           173           174           175 
      1  -0.717987D+01 -0.126812D+01  0.107564D+01 -0.574108D+00  0.290500D+01
      2   0.101270D+01 -0.164349D+02 -0.411542D+01 -0.676334D+01 -0.618928D+01
      3   0.764224D+01  0.598492D+01  0.154407D+02  0.522550D+01  0.328856D+02
               176           177           178           179           180 
      1  -0.290209D+01 -0.259444D+01 -0.461387D+00  0.107908D+01  0.342065D+01
      2  -0.498218D+01 -0.121395D+02 -0.184488D+02 -0.116248D+02  0.179880D+02
      3  -0.185914D+02  0.102867D+01  0.824309D+01  0.229275D+01  0.123683D+02
               181           182           183           184           185 
      1  -0.759664D-01 -0.232494D+01 -0.147401D+01 -0.135730D+01  0.110187D+00
      2   0.208869D+02  0.100560D+01 -0.407384D+01  0.115499D+01  0.177390D+01
      3   0.713845D+01 -0.660301D+00 -0.142249D+01  0.231352D+01  0.827425D+00
               186           187           188           189           190 
      1   0.725074D-01 -0.125561D+01  0.218293D+01  0.822647D+00  0.415738D+01
      2  -0.254328D+00 -0.579312D+01 -0.514882D+00  0.396063D+01  0.977222D+00
      3  -0.720128D+00 -0.752164D+00  0.109768D-01  0.115434D+01 -0.324011D+01
               191           192           193           194           195 
      1   0.451799D+01  0.387483D+01  0.503436D+01  0.560157D+01  0.571384D+01
      2  -0.224288D+00  0.353396D+01 -0.768507D+00  0.160967D+01  0.516073D+01
      3  -0.412375D+01 -0.351384D+01 -0.339255D+01 -0.416672D+01 -0.513683D+01
               196           197           198           199           200 
      1   0.458979D+01  0.625289D+01  0.769553D+01 -0.255770D+01  0.462564D+01
      2  -0.208413D+01  0.133396D+01  0.643995D+01 -0.363738D+00  0.112478D+01
      3  -0.195281D+01 -0.405227D+01 -0.499454D+01  0.185649D+01 -0.444169D+01
               201           202           203           204           205 
      1   0.937523D+00  0.612115D+01 -0.135681D+02  0.883924D+00  0.409578D-01
      2   0.196422D+01  0.328244D+01  0.898538D+00 -0.344590D+01 -0.645416D+00
      3   0.961152D+00 -0.133868D+01  0.122745D+02 -0.475524D+01 -0.560653D+00
               206           207           208           209           210 
      1   0.238480D+01 -0.840750D+00 -0.602179D+00 -0.430422D+00  0.360102D+00
      2  -0.624784D+00  0.722629D+00 -0.322253D+01  0.556655D-01  0.354447D+01
      3  -0.113571D+01  0.813187D+00 -0.176904D+01 -0.206993D+01  0.707915D+00
               211           212           213           214           215 
      1  -0.404556D+00 -0.114997D+01  0.226583D+00  0.803123D+00  0.412173D+01
      2  -0.402265D+00 -0.273034D+01  0.712465D+01  0.434492D+01  0.565414D+01
      3  -0.262381D+01 -0.181934D+01  0.384409D+01  0.117277D+01  0.533747D+01
               216           217           218           219           220 
      1  -0.273129D+01  0.938749D+00 -0.104444D+01  0.882769D+00 -0.123484D+01
      2  -0.241268D+02  0.217652D+01 -0.562450D+00  0.297974D+01 -0.268356D+00
      3  -0.678336D+01  0.621870D+01 -0.905035D+01 -0.686894D+00 -0.137158D+02
               221           222           223           224           225 
      1   0.336981D+01 -0.335690D+01  0.294535D+00  0.458629D+00  0.824317D-01
      2   0.193066D+01 -0.453186D+01  0.274388D+01 -0.165813D+01 -0.789806D+00
      3   0.266137D+02  0.424118D+00 -0.132058D+01 -0.613149D+00  0.150553D+01
               226           227           228           229           230 
      1   0.169440D+00  0.623157D-01 -0.702742D+00 -0.276142D+00  0.185257D+00
      2   0.111820D+02  0.392101D+01  0.890349D+01  0.670265D+01  0.522379D+01
      3  -0.103419D+02 -0.910010D+01 -0.380832D+01 -0.119426D+02 -0.781913D+01
               231           232           233           234 
      1  -0.146700D+01  0.266461D+00  0.106660D+01 -0.696285D+00
      2   0.758622D+01  0.983750D+01  0.512029D+01  0.818374D+01
      3  -0.423970D+01 -0.699981D+01 -0.678259D+01 -0.550332D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.175483D+01  0.144847D+01 -0.864356D+01  0.225933D+01 -0.281152D+01
      2   0.135631D+02 -0.357606D+01 -0.660546D+00 -0.111675D+00  0.607924D+01
      3  -0.153180D+02  0.212759D+01  0.930411D+01 -0.214765D+01 -0.326772D+01
      4   0.148750D+02  0.313592D+01 -0.405180D+01 -0.181727D+01  0.457030D+00
      5   0.460834D+00 -0.498293D+01 -0.129565D+02  0.320490D+01 -0.151426D+01
      6  -0.160970D+01 -0.167848D+01  0.679859D+00  0.829161D-01  0.768099D+01
                 6             7             8             9            10 
      1   0.597868D+01 -0.293349D+02 -0.512740D-01  0.864973D+01 -0.725677D+01
      2  -0.279882D-01  0.299813D+01  0.338139D+01  0.931554D+01  0.436499D+01
      3  -0.595070D+01  0.263367D+02 -0.333012D+01 -0.179653D+02  0.289178D+01
      4  -0.122796D+01 -0.920339D+01  0.495655D+01  0.787497D+01  0.588210D+01
      5   0.238885D+01 -0.190262D+02  0.546233D+01  0.143703D+02  0.890888D-02
      6  -0.261399D+01  0.860555D+01 -0.183591D+01 -0.103981D+02  0.575491D+01
                11            12            13            14            15 
      1   0.724931D+01 -0.443794D+01  0.892320D+01 -0.125584D+02 -0.241372D+01
      2   0.182138D+01  0.516591D+01 -0.351087D+01  0.128016D+02  0.478067D+01
      3  -0.907070D+01 -0.727973D+00 -0.541233D+01 -0.243213D+00 -0.236695D+01
      4  -0.662185D+01  0.919496D+01 -0.997874D+01  0.143335D+01  0.755868D+01
      5   0.878715D+01 -0.515245D+01  0.143225D+01  0.502892D+01 -0.384473D+01
      6   0.409921D+01 -0.559109D+01  0.721442D+01  0.535896D+01 -0.402553D+01
                16            17            18            19            20 
      1  -0.704362D+01  0.750791D+01 -0.201993D+01 -0.534611D+02  0.139140D+02
      2   0.455888D+01 -0.165922D+01  0.141746D+01  0.188151D+02 -0.104639D+02
      3   0.248474D+01 -0.584869D+01  0.602474D+00  0.346460D+02 -0.345014D+01
      4   0.154559D+02  0.354328D+01 -0.454154D+01 -0.152761D+02 -0.110223D+02
      5  -0.638967D+01 -0.350998D+01  0.456634D+01 -0.188952D+01  0.212112D+01
      6  -0.575108D+01 -0.613251D+01  0.878814D+01  0.524328D+01 -0.184789D+01
                21            22            23            24            25 
      1   0.509294D+01  0.306273D+02  0.581988D+01 -0.370963D+01  0.202222D+02
      2   0.452737D-01 -0.251232D+02 -0.230997D+02 -0.383497D+01 -0.847258D+00
      3  -0.513821D+01 -0.550418D+01  0.172798D+02  0.754461D+01 -0.193749D+02
      4   0.258839D+01 -0.232534D+01 -0.124369D+02 -0.142998D+01  0.354293D+01
      5  -0.423999D+01 -0.674682D+01 -0.310989D+01  0.451144D+01  0.453555D+01
      6  -0.543269D+01 -0.561434D+01 -0.858459D+01  0.670560D+01 -0.121326D+02
                26            27            28            29            30 
      1  -0.355353D+01 -0.236135D+02  0.746546D+02 -0.251855D+02 -0.152002D+02
      2  -0.633781D+01 -0.199616D+00 -0.392699D+02  0.119604D+02  0.389666D+01
      3   0.989134D+01  0.238131D+02 -0.353847D+02  0.132251D+02  0.113036D+02
      4   0.577722D+01  0.228817D+01  0.193368D+01  0.729274D+01  0.127929D+01
      5   0.341856D+01  0.101950D+02 -0.219487D+01  0.354670D+01  0.144967D+02
      6   0.135046D+02  0.127610D+02 -0.433319D+01  0.797070D+01  0.586158D+01
                31            32            33            34            35 
      1  -0.264130D+02  0.726285D+01  0.365153D+01 -0.169434D+02  0.558512D+01
      2   0.106388D+02  0.928685D+01  0.135459D+01  0.574576D+01 -0.139684D+01
      3   0.157742D+02 -0.165497D+02 -0.500611D+01  0.111976D+02 -0.418828D+01
      4   0.162879D+02  0.162175D+01  0.575020D+00  0.171911D+01  0.589813D+00
      5  -0.125371D+01  0.441346D+01 -0.692229D+01  0.234484D+02 -0.403454D+01
      6   0.674548D+01 -0.656434D+01 -0.312925D+01  0.596093D+01  0.259329D+01
                36            37            38            39            40 
      1   0.106275D+02 -0.722149D+02  0.239625D+02 -0.113214D+02  0.353748D+02
      2  -0.112918D+02  0.444002D+02 -0.131765D+02  0.251555D+01 -0.260583D+02
      3   0.664224D+00  0.278147D+02 -0.107860D+02  0.880584D+01 -0.931655D+01
      4  -0.420394D+00  0.110349D+02  0.285511D+01  0.455455D+01 -0.722336D+01
      5  -0.590632D+01 -0.150255D+02  0.453381D+01 -0.239757D+02  0.610646D+01
      6  -0.624276D+01  0.135446D+01 -0.720024D-01 -0.266905D+01 -0.106670D+01
                41            42            43            44            45 
      1   0.673124D+01  0.814290D+01 -0.198232D+02  0.732559D+01 -0.322368D+02
      2  -0.217696D+02 -0.536436D+01 -0.147232D+00 -0.632019D+01  0.301118D+02
      3   0.150384D+02 -0.277853D+01  0.199705D+02 -0.100539D+01  0.212494D+01
      4  -0.413086D+02 -0.869011D+01  0.343586D+01 -0.983029D+01  0.308223D+01
      5  -0.108830D+02  0.116208D+02 -0.590063D+02  0.104924D+02  0.403149D+02
      6  -0.270657D+01  0.279390D+01 -0.790098D+01  0.171828D+01  0.753113D+01
                46            47            48            49            50 
      1   0.882937D+01  0.851657D+01  0.975465D+01  0.658393D+01 -0.119249D+02
      2  -0.529748D+01 -0.415043D+01 -0.459761D+01 -0.285703D+00  0.764364D+01
      3  -0.353190D+01 -0.436613D+01 -0.515704D+01 -0.629823D+01  0.428127D+01
      4   0.174428D+02 -0.153356D+02 -0.729247D+01 -0.284340D+02  0.889812D+01
      5   0.125783D+02 -0.539106D+01 -0.144755D+02  0.197090D+01 -0.561380D+01
      6  -0.101547D+02 -0.367128D+01  0.112151D+02 -0.659161D+01  0.114005D+02
                51            52            53            54            55 
      1  -0.103753D+01  0.862139D+01 -0.540478D+01 -0.606129D+01 -0.119474D+02
      2   0.268393D+01 -0.505301D+01  0.567518D+01  0.371907D+00  0.875015D+01
      3  -0.164640D+01 -0.356838D+01 -0.270394D+00  0.568938D+01  0.319725D+01
      4  -0.302428D+01  0.202571D+00 -0.121846D+02  0.251460D+02  0.132623D+00
      5   0.127800D+02 -0.274513D+02  0.224248D+02 -0.666919D+01 -0.169255D+01
      6  -0.131973D+02  0.227776D+02 -0.254249D+02  0.106833D+02  0.777491D+01
                56            57            58            59            60 
      1   0.170456D+01 -0.178571D+01 -0.235479D+01  0.335883D+02 -0.915589D+00
      2  -0.653722D+01  0.146857D+01  0.367277D-02 -0.555128D+02 -0.189756D+01
      3   0.483266D+01  0.317140D+00  0.235112D+01  0.219246D+02  0.281315D+01
      4  -0.149487D+01  0.335663D+01  0.719883D+01  0.615135D+01 -0.842883D+00
      5   0.220161D+01 -0.784265D+00 -0.143577D+01 -0.155757D+01 -0.115125D+00
      6   0.665198D+00 -0.175208D+01 -0.428234D+00 -0.451862D+01  0.448534D+01
                61            62            63            64            65 
      1  -0.153153D+01 -0.186732D+01  0.124316D+02  0.530673D+01 -0.310215D+01
      2   0.134325D+01  0.637494D+01  0.667939D+01 -0.100273D+02 -0.675903D+00
      3   0.188275D+00 -0.450762D+01 -0.191110D+02  0.472055D+01  0.377805D+01
      4  -0.157388D+01  0.118590D+01 -0.551712D+01 -0.878366D+01  0.107775D+02
      5   0.572160D+01 -0.204430D+01  0.112028D+01  0.206239D+02 -0.857721D+00
      6  -0.364480D+01  0.342188D+01 -0.183957D+02 -0.485474D+01  0.367557D+01
                66            67            68            69            70 
      1   0.183096D+02 -0.475402D+01  0.162609D+02 -0.720860D-01  0.260416D+02
      2  -0.117557D+02 -0.829141D+00 -0.463963D+01 -0.205505D+01 -0.153053D+02
      3  -0.655390D+01  0.558316D+01 -0.116213D+02  0.212714D+01 -0.107364D+02
      4  -0.286970D+01  0.241086D+02 -0.196034D+02  0.399912D+01 -0.506869D+01
      5   0.123299D+02 -0.854182D-02  0.585573D+01  0.581639D+01  0.215772D+02
      6   0.118696D+01  0.153839D+01 -0.534292D+01  0.289437D+01 -0.299709D+01
                71            72            73            74            75 
      1  -0.100365D+01  0.529689D+01 -0.208936D+01 -0.146302D+00  0.447859D+01
      2  -0.194659D+01 -0.927768D+01 -0.579865D+01  0.149973D+01  0.430462D+01
      3   0.295024D+01  0.398079D+01  0.788802D+01 -0.135342D+01 -0.878321D+01
      4   0.291508D+01  0.436727D+01 -0.723368D+01  0.527263D+01  0.432136D+01
      5   0.576177D+01 -0.640769D+01 -0.907516D+01  0.386858D+01  0.141454D+02
      6   0.389377D+01  0.215421D+01  0.477240D+01 -0.249620D+01 -0.433738D+01
                76            77            78            79            80 
      1   0.573671D+01 -0.727848D+01 -0.779415D+01  0.701872D+01 -0.756062D+01
      2  -0.114543D+01  0.126686D+01 -0.305056D+00  0.653587D+01 -0.281543D+01
      3  -0.459128D+01  0.601162D+01  0.809920D+01 -0.135546D+02  0.103761D+02
      4   0.434466D+01 -0.193557D+01 -0.444956D+01  0.573263D+01 -0.429006D+01
      5   0.433872D+01 -0.441669D+01 -0.531730D+01  0.151861D+02 -0.643562D+01
      6  -0.313228D+01  0.622987D+01  0.108334D+02 -0.498131D+01  0.102984D+02
                81            82            83            84            85 
      1  -0.278737D+02  0.619821D+01 -0.132050D+01  0.665040D+00 -0.169375D+01
      2  -0.154199D+02 -0.194348D+01  0.277146D+01 -0.599226D+00  0.361460D+01
      3   0.432935D+02 -0.425473D+01 -0.145096D+01 -0.658145D-01 -0.192085D+01
      4  -0.827463D+01  0.118663D+02  0.135172D+02 -0.891428D+01  0.114544D+02
      5  -0.207570D+02 -0.714186D+01 -0.728035D+01  0.923771D+01 -0.579132D+01
      6   0.176637D+02 -0.824348D+01 -0.710048D+01  0.703045D+01 -0.757526D+01
                86            87            88            89            90 
      1  -0.109044D+02  0.513476D+01 -0.106294D+00  0.495666D+01 -0.689539D+01
      2   0.138780D+02 -0.531463D+01  0.278570D+00 -0.435116D+01  0.587195D+00
      3  -0.297355D+01  0.179865D+00 -0.172276D+00 -0.605496D+00  0.630820D+01
      4   0.170470D+02 -0.100617D+02 -0.919334D+01 -0.100231D+02  0.104581D+02
      5  -0.809555D+01  0.612870D+01  0.788401D+01  0.770053D+01 -0.956172D+01
      6  -0.156228D+02  0.134659D+02  0.807439D+01  0.139863D+02 -0.141699D+02
                91            92            93            94            95 
      1  -0.257108D+01  0.546882D+00  0.197987D+01  0.107043D+01 -0.344089D+02
      2   0.417911D+01  0.334745D+01 -0.685591D+00  0.304640D+01  0.503424D+02
      3  -0.160803D+01 -0.389433D+01 -0.129428D+01 -0.411684D+01 -0.159334D+02
      4   0.294127D+01  0.105906D+02  0.140895D+01  0.938692D+01  0.212688D+02
      5   0.132071D+01  0.183213D+01  0.176892D+01  0.247039D+01  0.545597D+01
      6   0.375730D+01 -0.145482D-01 -0.721249D-01  0.145352D+01  0.168964D+02
                96            97            98            99           100 
      1  -0.715199D+01  0.407197D+01 -0.400365D+01 -0.834932D+00  0.484414D+01
      2   0.713930D+01 -0.349587D+01  0.454399D+01  0.284588D+01  0.427006D+00
      3   0.126885D-01 -0.576096D+00 -0.540334D+00 -0.201095D+01 -0.527114D+01
      4   0.340784D+01  0.142731D+01 -0.232423D+00  0.111528D+01  0.617738D+01
      5   0.339564D+01  0.292214D+01  0.137750D+01 -0.376496D+00  0.246396D+01
      6   0.940945D+01  0.342064D+01  0.494652D+01  0.153033D+01  0.734623D+00
               101           102           103           104           105 
      1   0.571212D+01  0.244186D+01  0.105693D+02 -0.656563D+01 -0.870880D+00
      2  -0.203138D+01 -0.963200D+00  0.434772D+01  0.315610D+02  0.193687D+01
      3  -0.368074D+01 -0.147866D+01 -0.149170D+02 -0.249954D+02 -0.106599D+01
      4   0.904022D+01  0.848168D+00  0.283632D+02  0.583924D+02  0.378419D+01
      5   0.152637D+00  0.298652D+01  0.867567D+00  0.477072D+01  0.806243D+01
      6   0.192153D+00  0.225984D+00  0.452525D+00  0.127359D+00  0.659867D+01
               106           107           108           109           110 
      1   0.487090D+01 -0.814408D+00  0.417938D+00  0.914595D+02 -0.123590D+02
      2  -0.970346D+00  0.266672D+01  0.506338D+00 -0.495448D+02  0.821653D+01
      3  -0.390055D+01 -0.185231D+01 -0.924276D+00 -0.419147D+02  0.414243D+01
      4   0.375544D+01  0.762059D+01  0.585694D+01 -0.629325D+00  0.106921D+02
      5   0.718889D+01  0.562541D+01  0.917201D-02  0.287114D+02 -0.532242D+01
      6   0.254085D+01  0.685607D+01  0.142473D+01  0.882348D+00 -0.343050D+00
               111           112           113           114           115 
      1   0.203001D+02 -0.384687D+02  0.108378D+02 -0.662198D+01  0.431784D+02
      2  -0.115354D+02  0.217550D+02 -0.455017D+01  0.446771D+01 -0.236340D+02
      3  -0.876473D+01  0.167137D+02 -0.628766D+01  0.215427D+01 -0.195444D+02
      4  -0.271335D+01  0.118199D+02 -0.585579D+01  0.638403D+01 -0.115256D+01
      5   0.184986D+02 -0.106844D+02  0.765276D+01 -0.846357D+01  0.348437D+02
      6   0.217995D+01  0.179342D+01 -0.387961D+00  0.682242D+00  0.273107D+01
               116           117           118           119           120 
      1  -0.568907D+01  0.201786D+02  0.299294D+02 -0.200548D+01 -0.116000D+02
      2   0.485558D+01 -0.159102D+02 -0.203145D+02  0.154441D+01  0.925038D+01
      3   0.833497D+00 -0.426842D+01 -0.961493D+01  0.461071D+00  0.234957D+01
      4   0.862410D+01 -0.267355D+01  0.451227D+01  0.354446D+01 -0.271633D+01
      5  -0.635437D+01  0.125043D+02 -0.164675D+02 -0.504327D+00  0.205146D+02
      6   0.127561D+01  0.951122D-02 -0.322072D+01 -0.731191D+00  0.334818D+01
               121           122           123           124           125 
      1  -0.145460D+02  0.143078D+01  0.262064D+01 -0.254557D+02 -0.207903D+01
      2   0.108983D+02 -0.365150D+00 -0.420615D+01  0.242905D+02 -0.776492D+00
      3   0.364773D+01 -0.106563D+01  0.158552D+01  0.116524D+01  0.285552D+01
      4   0.629939D+01  0.188127D+01 -0.585916D+01 -0.103315D+02 -0.937394D+01
      5   0.523238D+01 -0.589950D+01 -0.785247D+01  0.484935D+02 -0.217143D+01
      6  -0.198287D+01 -0.826750D-01  0.328162D+01  0.818239D+01  0.436454D+01
               126           127           128           129           130 
      1   0.171690D+02  0.219301D+02 -0.695423D+01 -0.968202D+01 -0.447370D+01
      2  -0.280205D+02 -0.912376D+01  0.291979D+00  0.477586D+01 -0.213855D+01
      3   0.108516D+02 -0.128063D+02  0.666225D+01  0.490616D+01  0.661225D+01
      4   0.246154D+01 -0.239823D+02  0.180745D+02  0.103462D+02  0.159807D+02
      5  -0.582333D+02 -0.181692D+02  0.749892D+01  0.136233D+02  0.585658D+01
      6  -0.118814D+02  0.961146D+01 -0.490919D+01 -0.736806D+01 -0.507468D+01
               131           132           133           134           135 
      1   0.129851D+01  0.352892D+00 -0.121721D+02  0.105265D+01  0.371459D+01
      2   0.429679D+01  0.211559D+01  0.721050D+01  0.134698D+01 -0.441755D+01
      3  -0.559530D+01 -0.246848D+01  0.496162D+01 -0.239963D+01  0.702960D+00
      4  -0.141944D+02 -0.775937D+01  0.153600D+02 -0.121913D+02 -0.149673D+02
      5  -0.706065D+01 -0.684273D+01  0.199961D+02 -0.125639D+02 -0.159335D+02
      6   0.611058D+01  0.770048D+01 -0.122415D+02  0.115451D+02  0.966794D+01
               136           137           138           139           140 
      1   0.643650D+01 -0.519964D+01  0.303003D+01 -0.698122D+00 -0.586450D+01
      2  -0.231946D+01  0.954260D+00 -0.198784D+01 -0.366964D+01  0.110592D+02
      3  -0.411704D+01  0.424538D+01 -0.104220D+01  0.436776D+01 -0.519469D+01
      4  -0.144236D+02  0.140677D+02 -0.615936D+01  0.153804D+02 -0.180848D+02
      5   0.793325D+01 -0.534215D+01  0.103725D+02 -0.589907D+01  0.108065D+02
      6  -0.632184D+01  0.492290D+01 -0.581419D+01  0.773327D+01 -0.146857D+02
               141           142           143           144           145 
      1   0.290707D+01  0.445156D+01  0.598766D+01 -0.260540D+01  0.626070D+00
      2  -0.469947D+01 -0.210095D+01 -0.739104D+01 -0.281948D+01 -0.365703D+01
      3   0.179240D+01 -0.235061D+01  0.140338D+01  0.542488D+01  0.303096D+01
      4   0.111072D+02 -0.163156D+02  0.218304D+02 -0.190113D+02  0.315928D+00
      5  -0.875936D+01  0.195794D+02 -0.175137D+02  0.218921D+02  0.109356D+01
      6   0.140600D+02 -0.164657D+02  0.229520D+02 -0.231898D+02  0.676667D+00
               146           147           148           149           150 
      1  -0.858986D+00 -0.640085D+00  0.385268D+00 -0.455300D+01 -0.952088D+00
      2   0.157380D+01 -0.564846D+00  0.951851D+00  0.393068D+01  0.376438D+01
      3  -0.714810D+00  0.120493D+01 -0.133712D+01  0.622328D+00 -0.281229D+01
      4   0.275217D+01  0.158037D+01 -0.265566D+00  0.486114D+00 -0.325083D-01
      5  -0.430766D+00  0.602439D+01  0.562407D-02  0.262039D+00  0.167531D+00
      6   0.120465D+01  0.138523D+01  0.396218D+00  0.276397D+01  0.200823D+01
               151           152           153           154           155 
      1  -0.568584D+00 -0.773243D+01 -0.203590D+02 -0.128310D+01 -0.316724D+01
      2  -0.144978D+01  0.509176D+01 -0.883810D+01  0.642659D+01  0.473390D+01
      3   0.201836D+01  0.264067D+01  0.291971D+02 -0.514349D+01 -0.156666D+01
      4   0.377469D+01  0.247469D+00  0.264518D+01  0.138104D+00  0.111408D+02
      5   0.358608D+01 -0.546403D+00 -0.101621D+01  0.470003D+00  0.883572D+00
      6   0.120580D+01  0.911306D+01  0.240235D+02 -0.508072D+00  0.608665D+00
               156           157           158           159           160 
      1  -0.474249D+00 -0.161942D+01 -0.508507D+02 -0.299733D+01 -0.130900D+00
      2  -0.126402D+00  0.140570D+01  0.840542D+02  0.342576D+01  0.375276D+00
      3   0.600652D+00  0.213718D+00 -0.332034D+02 -0.428429D+00 -0.244376D+00
      4  -0.148682D+00  0.746008D+01 -0.386927D+01 -0.259965D-01 -0.804962D+00
      5   0.163357D+01  0.175283D+00  0.967808D+00 -0.290080D+00  0.534745D+00
      6   0.831844D+00  0.412034D+00  0.761810D+01  0.798962D+01  0.583285D+00
               161           162           163           164           165 
      1   0.325908D+01 -0.635348D+01  0.218288D+02 -0.189797D+01 -0.724550D+01
      2  -0.608278D+01  0.604106D+01 -0.400027D+01  0.107921D+02  0.100577D+02
      3   0.282370D+01  0.312419D+00 -0.178286D+02 -0.889415D+01 -0.281216D+01
      4   0.131480D+01 -0.178344D+00 -0.517939D+01 -0.108423D+02  0.271377D+00
      5  -0.701558D+00  0.571501D-01 -0.523396D+01 -0.168915D+01 -0.161210D+02
      6   0.994957D+01  0.108982D+01  0.206666D+01 -0.120588D+02 -0.427296D+01
               166           167           168           169           170 
      1  -0.296559D+01 -0.510632D+00 -0.119309D+01 -0.748693D+01  0.735869D+00
      2   0.173621D+02 -0.800642D+01  0.174588D+02  0.112023D+02  0.128267D+02
      3  -0.143965D+02  0.851705D+01 -0.162657D+02 -0.371539D+01 -0.135626D+02
      4  -0.197943D+02  0.262799D+02 -0.149465D+02  0.495385D+00 -0.798140D+01
      5  -0.349062D+01 -0.218316D+02 -0.162549D+02 -0.244849D+02 -0.121216D+02
      6  -0.176428D+02  0.193550D+02 -0.108044D+02 -0.518956D+01 -0.693539D+01
               171           172           173           174           175 
      1  -0.112793D+02 -0.890312D+01 -0.114835D+02 -0.265129D+02 -0.183435D+02
      2   0.104559D+02 -0.116108D+00  0.108346D+02  0.122567D+02  0.185142D+02
      3   0.823394D+00  0.901922D+01  0.648948D+00  0.142562D+02 -0.170709D+00
      4  -0.940871D+01 -0.100921D+02 -0.299061D+02 -0.756326D+01 -0.507645D+02
      5  -0.981175D+01 -0.291167D+02 -0.773265D+01 -0.100070D+02 -0.128502D+02
      6  -0.142848D+02 -0.356249D+00  0.248133D+01 -0.478279D+00  0.363633D+01
               176           177           178           179           180 
      1  -0.288535D+02 -0.112503D+02 -0.344738D+02 -0.115851D+02 -0.930745D+01
      2   0.458802D+01  0.296813D+01  0.127513D+02  0.214474D+01  0.147927D+02
      3   0.242655D+02  0.828219D+01  0.217225D+02  0.944040D+01 -0.548521D+01
      4   0.391554D+02 -0.261070D+01 -0.130153D+02 -0.468184D+01 -0.196767D+02
      5  -0.879201D+00 -0.191905D+02 -0.181230D+02 -0.191605D+02  0.310925D+02
      6  -0.472322D+01 -0.161150D+01 -0.164716D+01  0.172207D+01  0.133758D+01
               181           182           183           184           185 
      1  -0.138344D+02 -0.249042D+01  0.119106D+02 -0.355619D+00 -0.341148D+01
      2   0.430547D+01  0.471764D-01  0.972452D+00 -0.146179D+01  0.307229D+01
      3   0.952894D+01  0.244324D+01 -0.128831D+02  0.181741D+01  0.339188D+00
      4   0.829300D+01  0.110761D+01 -0.729917D+00  0.422799D+01 -0.158876D+01
      5  -0.120544D+02  0.206204D+00  0.242349D+01 -0.243212D+00  0.877075D+00
      6  -0.161376D+01 -0.395053D+01  0.564123D+01 -0.803247D+00 -0.302079D+01
               186           187           188           189           190 
      1   0.186848D+01  0.771292D+01  0.149804D+01 -0.632618D+01  0.752561D+01
      2  -0.256689D+01  0.377502D+00 -0.117219D+01 -0.343273D+01 -0.126980D+02
      3   0.698412D+00 -0.809042D+01 -0.325850D+00  0.975891D+01  0.517236D+01
      4   0.100426D+01 -0.856496D+00 -0.713513D+00  0.279295D+01  0.435003D+01
      5   0.240635D+01  0.730529D+01  0.167863D+01 -0.313126D+01  0.206797D+02
      6   0.389918D+01  0.334945D+01  0.310853D+01 -0.148643D+01  0.355231D+01
               191           192           193           194           195 
      1   0.335240D+01  0.332642D+01  0.498374D+01 -0.374966D+00 -0.298188D+01
      2  -0.581670D+01 -0.133752D+02 -0.100214D+02 -0.294029D+01 -0.123732D+02
      3   0.246431D+01  0.100487D+02  0.503767D+01  0.331525D+01  0.153551D+02
      4   0.677807D+01  0.287214D+01  0.879025D+01  0.519691D+01  0.846188D+01
      5   0.593492D+01  0.230057D+02  0.142396D+02  0.115195D+02  0.191781D+02
      6   0.623773D+01  0.331128D+01  0.813991D+01  0.734403D+01  0.107909D+02
               196           197           198           199           200 
      1   0.239189D+01 -0.154755D+01 -0.721863D+01  0.412454D+01 -0.341725D+01
      2  -0.129580D+02 -0.669004D+01 -0.214356D+02 -0.985872D-01 -0.325059D+01
      3   0.105661D+02  0.823759D+01  0.286542D+02 -0.402595D+01  0.666784D+01
      4   0.285235D+01  0.560758D+01  0.597106D+01 -0.124692D+02  0.160990D+02
      5   0.211315D+02  0.844608D+01  0.292011D+02  0.891161D+01 -0.785537D+01
      6   0.422401D+01  0.794473D+01  0.818891D+01 -0.701148D+01  0.975160D+01
               201           202           203           204           205 
      1   0.200311D+00 -0.177354D+01 -0.118205D+02  0.747588D+01 -0.103863D+01
      2  -0.191321D+01 -0.658645D+01  0.245274D+02 -0.572721D+01 -0.176917D+01
      3   0.171290D+01  0.835999D+01 -0.127070D+02 -0.174867D+01  0.280780D+01
      4  -0.550125D+01  0.200003D+02 -0.338163D+02  0.122923D+02 -0.134002D+01
      5   0.954337D+01 -0.980463D+01  0.160494D+02 -0.954132D+01  0.621272D+01
      6  -0.445647D+01  0.129403D+02 -0.299551D+02  0.172148D+02 -0.336934D+01
               206           207           208           209           210 
      1   0.404985D+01 -0.267069D+01  0.511431D+01  0.347857D+01 -0.559260D+01
      2  -0.855811D+00  0.294552D-01 -0.506179D+01 -0.239192D+01  0.452702D+01
      3  -0.319404D+01  0.264123D+01 -0.525126D-01 -0.108665D+01  0.106558D+01
      4   0.365192D+01 -0.441998D+01  0.343066D+01  0.412046D+01 -0.101459D+01
      5  -0.450491D+01  0.576591D+01 -0.659066D+01 -0.158272D+01  0.109056D+02
      6   0.103161D+02 -0.581358D+01 -0.814798D+00 -0.441182D+00  0.241002D+00
               211           212           213           214           215 
      1   0.766371D+01  0.241799D+01  0.558774D+00 -0.131636D+02  0.136527D+01
      2  -0.555879D+01 -0.128595D+01  0.284953D+01  0.124480D+02  0.238196D+01
      3  -0.210492D+01 -0.113204D+01 -0.340830D+01  0.715613D+00 -0.374723D+01
      4   0.895397D+01  0.224589D+01 -0.716150D+01 -0.144023D+01 -0.894383D+01
      5  -0.462630D+01 -0.690062D+01  0.133763D+02  0.240280D+02  0.101772D+02
      6  -0.201922D+01 -0.216720D+01  0.503912D+01  0.639296D+00  0.469625D+01
               216           217           218           219           220 
      1   0.184022D+01  0.240270D+02 -0.133781D+02  0.115576D+01 -0.265579D+02
      2  -0.190970D+02 -0.727256D+01  0.303853D+01 -0.495134D+00  0.331310D+01
      3   0.172568D+02 -0.167544D+02  0.103396D+02 -0.660626D+00  0.232448D+02
      4   0.103315D+02 -0.193331D+02  0.227749D+02  0.156003D+01  0.434415D+02
      5  -0.480666D+02 -0.765075D+00  0.253778D+01  0.503585D+01  0.690328D+01
      6  -0.162282D+01  0.194916D+01 -0.216582D+01 -0.775422D+00 -0.452018D+01
               221           222           223           224           225 
      1   0.144815D+02  0.246221D+01  0.567899D+01  0.587325D+00  0.330437D+01
      2   0.107219D+02 -0.178423D+01 -0.167722D+01 -0.820980D+00 -0.147098D+01
      3  -0.252035D+02 -0.677981D+00 -0.400176D+01  0.233656D+00 -0.183339D+01
      4  -0.567985D+02 -0.182600D+01  0.168884D+00  0.137059D+01 -0.464704D+01
      5  -0.312763D+01 -0.845898D+01  0.939699D+01 -0.513097D+01 -0.273242D+01
      6   0.701391D+01  0.599771D+01 -0.309934D+01  0.536713D+01  0.158899D+00
               226           227           228           229           230 
      1   0.603433D+02  0.161526D+02  0.164666D+02  0.343039D+02  0.160146D+02
      2  -0.293740D+02 -0.789301D+01 -0.796493D+01 -0.162786D+02 -0.384572D+01
      3  -0.309694D+02 -0.825963D+01 -0.850163D+01 -0.180253D+02 -0.121689D+02
      4   0.188803D+02  0.164104D+02  0.680357D+01  0.281329D+02  0.137808D+02
      5   0.171430D+02  0.617747D+01  0.140277D+02  0.100306D+02  0.723010D+01
      6   0.912295D+00 -0.329085D+00 -0.118924D+00  0.894904D+00  0.177381D+01
               231           232           233           234 
      1   0.793444D+01  0.370246D+02  0.810744D+01  0.134505D+02
      2  -0.304039D+01 -0.186960D+02 -0.354740D+01 -0.100980D+02
      3  -0.489405D+01 -0.183286D+02 -0.456004D+01 -0.335249D+01
      4   0.835596D+01  0.123729D+02  0.112110D+02  0.934544D+01
      5   0.120208D+02  0.219384D+02  0.903246D+01  0.144968D+02
      6   0.239310D+01  0.192912D+01  0.157604D+01  0.178348D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x         -0.560239D-01     -0.142398D+00     -0.474990D+00
   y          0.120008D+00      0.305031D+00      0.101747D+01
   z          0.316408D-01      0.804228D-01      0.268262D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.139877D+03      0.207276D+02      0.230626D+02
   yx        -0.460708D+01     -0.682699D+00     -0.759606D+00
   yy         0.107772D+03      0.159701D+02      0.177692D+02
   zx        -0.274845D+01     -0.407278D+00     -0.453158D+00
   zy         0.131010D+01      0.194137D+00      0.216007D+00
   zz         0.963721D+02      0.142809D+02      0.158896D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122904D+03      0.182125D+02      0.202641D+02
   aniso      0.447272D+02      0.662789D+01      0.737453D+01
   xx         0.151029D+03      0.223802D+02      0.249013D+02
   yx        -0.519608D+01     -0.769980D+00     -0.856718D+00
   yy         0.114821D+03      0.170147D+02      0.189314D+02
   zx        -0.301777D+01     -0.447187D+00     -0.497563D+00
   zy         0.131101D+01      0.194272D+00      0.216157D+00
   zz         0.102862D+03      0.152425D+02      0.169596D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.09028938          1.55408846         -1.55480277
     6          1.51912016          1.88038295          0.78026374
     6         -2.26505750         -0.19089875         -1.36921840
     6         -3.22307634         -0.94888542          0.83569022
     6         -5.47790768         -2.65023376          1.02036778
     6         -2.08081433         -0.05693366          3.29737629
     6          0.77968882          0.38819100          3.12130542
     6          2.63006188          0.63696785         -1.54585729
     1         -0.42767453          3.22683563         -2.69382575
     1          2.19215574          3.77914091          1.14537760
     1         -3.11826062         -0.83922497         -3.12003460
     1         -6.23286869         -3.12015895         -0.83842673
     1         -6.98334267         -1.75791784          2.12456048
     1         -5.00164234         -4.41184845          1.99526994
     1         -2.48106943         -1.43267109          4.78652495
     1         -3.03233449          1.69196905          3.87473636
     1          1.73023415         -1.44288003          3.13811791
     1          1.43155457          1.38503185          4.80583392
     6          3.18573896         -2.16091869         -1.56483670
     6          4.50580920          2.18636699         -3.04430493
     1          1.69282199         -3.26196980         -0.67688417
     1          4.95967622         -2.56628422         -0.58485758
     1          3.37844460         -2.83289166         -3.50857778
     1          4.03878456          4.19455013         -2.98633225
     1          4.53629951          1.59956664         -5.02558591
     1          6.41757635          1.95998354         -2.29178830

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136168D+00      0.346105D+00      0.115448D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.125761D+03      0.186358D+02      0.207351D+02
   yx         0.120306D+02      0.178276D+01      0.198358D+01
   yy         0.101266D+03      0.150061D+02      0.166965D+02
   zx        -0.149505D+02     -0.221543D+01     -0.246500D+01
   zy        -0.413543D+01     -0.612808D+00     -0.681841D+00
   zz         0.116994D+03      0.173367D+02      0.192897D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.122904D+03      0.182125D+02      0.202641D+02
   aniso      0.447272D+02      0.662789D+01      0.737453D+01
   xx         0.135278D+03      0.200462D+02      0.223044D+02
   yx         0.132080D+02      0.195723D+01      0.217771D+01
   yy         0.108247D+03      0.160405D+02      0.178475D+02
   zx        -0.168446D+02     -0.249611D+01     -0.277730D+01
   zy        -0.469739D+01     -0.696081D+00     -0.774495D+00
   zz         0.125187D+03      0.185507D+02      0.206405D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-34\Freq\RB3LYP\Gen\C10H16\PIERPA\08-Jul-2021\0\\#P B3
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  ON THE CHOICE OF THE CORRECT LANGUAGE -
 I SPEAK SPANISH TO GOD, ITALIAN TO WOMEN,
 FRENCH TO MEN, AND GERMAN TO MY HORSE.
          -- CHARLES V
 Job cpu time:       0 days  8 hours 22 minutes 35.8 seconds.
 Elapsed time:       0 days  0 hours 31 minutes 28.3 seconds.
 File lengths (MBytes):  RWF=    430 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:41:12 2021.
